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CAS 1260765-26-1 4-(Pyridin-2-yl)-1H-pyrazole-3-carboxylicacid molecular structure lightbox
CAS RN: 1260765-26-1

4-(Pyridin-2-yl)-1H-pyrazole-3-carboxylicacid

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260408 50mg / 250mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1260765-26-1
  • Purity/Analytical Methods: >99.0%
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1260765-26-1 / 4-pyridin-2-yl-1H-pyrazole-5-carboxylic acid

Standard CAS: 1260765-26-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1260765-26-1
Multi CAS
No
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
SMILES
C1=CC=NC(=C1)C2=C(NN=C2)C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)8-6(5-11-12-8)7-3-1-2-4-10-7/h1-5H,(H,11,12)(H,13,14)
InChIKey
HJVKSEDQRMTXQK-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
48.78
TPSA
78.87

LogP / Solubility

WLOGP
1.17
MLOGP
1.03
XLogP3
0.7
Consensus LogP
0.97
Log S (ESOL)
-2.2
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.96
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.1
Class (SILICOS-IT)
Moderately 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)
-3.04

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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