[email protected]
CAS 117784-27-7 4-(Pyridin-4-yl)-1H-pyrazole-3-carboxylic acid molecular structure lightbox
CAS RN: 117784-27-7

4-(Pyridin-4-yl)-1H-pyrazole-3-carboxylic acid

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250526 100mg Out of stock 1 business days Inquiry
  • Product code: starshine_CAS117784-27-7
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

117784-27-7 / 4-pyridin-4-yl-1H-pyrazole-5-carboxylic acid

DTXSID80556898 | 4-(Pyridin-4-yl)-1H-pyrazole-5-carboxylic acid | RefChem:516847

Standard CAS: 117784-27-7 Multi CAS: Yes
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
117784-27-7
Multi CAS
Yes
Molecular Formula
C9H7N3O2
Molecular Weight
189.170000
Exact Mass
189.053826
SMILES
C1=CN=CC=C1C2=C(NN=C2)C(=O)O
InChI
InChI=1S/C9H7N3O2/c13-9(14)8-7(5-11-12-8)6-1-3-10-4-2-6/h1-5H,(H,11,12)(H,13,14)
InChIKey
CZZVGBOCVFIZGU-UHFFFAOYSA-N
Synonyms
DTXSID80556898 4-(Pyridin-4-yl)-1H-pyrazole-5-carboxylic acid RefChem:516847 DTXCID00507680 985-444-1

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
0.6
Consensus LogP
0.93
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

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

Customers Also Viewed

Get In Touch

Contact Us