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CAS 1187361-13-2 3-cyano-1H-pyrazole-5-carboxylic acid molecular structure lightbox
CAS RN: 1187361-13-2

3-cyano-1H-pyrazole-5-carboxylic acid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250410 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-018675
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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: 1g
  • 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 1187361-13-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

1187361-13-2 / 3-cyano-1H-pyrazole-5-carboxylic acid

3-cyano-1H-pyrazole-5-carboxylic acid | MFCD09036046 | SCHEMBL10340622

Standard CAS: 1187361-13-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1187361-13-2
Multi CAS
No
Molecular Formula
C5H3N3O2
Molecular Weight
137.100000
Exact Mass
137.022526
SMILES
C1=C(NN=C1C#N)C(=O)O
InChI
InChI=1S/C5H3N3O2/c6-2-3-1-4(5(9)10)8-7-3/h1H,(H,7,8)(H,9,10)
InChIKey
NTSMOUACTOCHOU-UHFFFAOYSA-N
Synonyms
3-cyano-1H-pyrazole-5-carboxylic acid MFCD09036046 SCHEMBL10340622 SCHEMBL15647506 DTXSID00623036

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
2
Molar refractivity
30.26
TPSA
89.77

LogP / Solubility

WLOGP
-0.02
MLOGP
-0.03
XLogP3
0.1
Consensus LogP
0.02
Log S (ESOL)
-0.98
Class (ESOL)
Very soluble
Log S (Ali)
-0.67
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.65
Class (SILICOS-IT)
Very soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.57

Drug-likeness / Medicinal Chemistry

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

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