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CAS 1133-77-3 1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID molecular structure lightbox
CAS RN: 1133-77-3

1-PHENYL-1H-PYRAZOLE-5-CARBOXYLIC ACID

Product Availability

Choose a grade to view its available package options.

7 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250829 200mg / 1g / 5g Confirm by inquiry Shanghai, Shandong Inquiry
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250424 100mg In stock Shanghai Inquiry
Batchno.20260313 10g Out of stock Inquiry
Batchno.20250406 1g Out of stock Inquiry
Batchno.20260603 250mg In stock Shanghai, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20260205 25g Out of stock Inquiry
Batchno.20260212 5g In stock Wuhan, Chengdu Inquiry
  • Product code: SSC-013457
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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: 5g
  • Available purity: ≥95%
  • 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 1133-77-3
Pack Size Recorded Purity Available Qty Ship From Inquiry
5g ≥95% 0 Out of Stock Beijing Inquiry

1133-77-3 / 2-phenylpyrazole-3-carboxylic acid

1-phenyl-1H-pyrazole-5-carboxylic acid | DTXSID70285029 | RefChem:435542

Standard CAS: 1133-77-3 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1133-77-3
Multi CAS
Yes
Molecular Formula
C10H8N2O2
Molecular Weight
188.180000
Exact Mass
188.058578
SMILES
C1=CC=C(C=C1)N2C(=CC=N2)C(=O)O
InChI
InChI=1S/C10H8N2O2/c13-10(14)9-6-7-11-12(9)8-4-2-1-3-5-8/h1-7H,(H,13,14)
InChIKey
FLYDUXCFCARXHI-UHFFFAOYSA-N
Synonyms
1-phenyl-1H-pyrazole-5-carboxylic acid DTXSID70285029 RefChem:435542 DTXCID00236180 800-054-2

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
50.52
TPSA
55.12

LogP / Solubility

WLOGP
1.57
MLOGP
1.38
XLogP3
1.8
Consensus LogP
1.58
Log S (ESOL)
-2.45
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.24
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.43
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.75

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

Pictogram(s)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (66.7%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (66.7%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (66.7%): 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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