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CAS 1082066-00-9 1-cyclopropyl-1H-pyrazole-4-carbaldehyde molecular structure lightbox
CAS RN: 1082066-00-9

1-cyclopropyl-1H-pyrazole-4-carbaldehyde

Product Availability

Choose a grade to view its available package options.

7 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260316 100g In stock Shanghai Inquiry
Batchno.20250112 100mg In stock Shanghai Inquiry
Batchno.20250331 100mg / 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
Batchno.20250720 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20251017 250mg In stock Shanghai Inquiry
Batchno.20260628 25g In stock Shanghai Inquiry
Batchno.20251116 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-009469
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 0.25g, 1g, 5g
  • Available purity: ＞97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1082066-00-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.25g ＞97% 0 Out of Stock Hong Kong Inquiry
1g ＞97% 0 Out of Stock Beijing Inquiry
5g ＞97% 0 Out of Stock Shanghai Inquiry

1082066-00-9 / 1-cyclopropylpyrazole-4-carbaldehyde

1-cyclopropyl-1H-pyrazole-4-carbaldehyde | 1-cyclopropyl-1h-pyrazole-4-carboxaldehyde | DTXSID401267704

Standard CAS: 1082066-00-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1082066-00-9
Multi CAS
No
Molecular Formula
C7H8N2O
Molecular Weight
136.150000
Exact Mass
136.063663
SMILES
C1CC1N2C=C(C=N2)C=O
InChI
InChI=1S/C7H8N2O/c10-5-6-3-8-9(4-6)7-1-2-7/h3-5,7H,1-2H2
InChIKey
KHABDBBXXQVOHP-UHFFFAOYSA-N
Synonyms
1-cyclopropyl-1H-pyrazole-4-carbaldehyde 1-cyclopropyl-1h-pyrazole-4-carboxaldehyde DTXSID401267704 RefChem:431870 DTXCID101698340

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.43
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
35.89
TPSA
34.89

LogP / Solubility

WLOGP
1.03
MLOGP
0.9
XLogP3
0.2
Consensus LogP
0.71
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.42
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.64
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.82

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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