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CAS 1152979-17-3 1-Phenyl-1H-pyrazole-3-carboxamide molecular structure lightbox
CAS RN: 1152979-17-3

1-Phenyl-1H-pyrazole-3-carboxamide

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Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260217 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1152979-17-3
  • Purity/Analytical Methods: >99.0%
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1152979-17-3 / 1-phenylpyrazole-3-carboxamide

1-phenyl-1H-pyrazole-3-carboxamide | 1-phenylpyrazole-3-carboxamide | MFCD11646040

Standard CAS: 1152979-17-3 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152979-17-3
Multi CAS
No
Molecular Formula
C10H9N3O
Molecular Weight
187.200000
Exact Mass
187.074562
SMILES
C1=CC=C(C=C1)N2C=CC(=N2)C(=O)N
InChI
InChI=1S/C10H9N3O/c11-10(14)9-6-7-13(12-9)8-4-2-1-3-5-8/h1-7H,(H2,11,14)
InChIKey
NNHQFKJWBLHANC-UHFFFAOYSA-N
Synonyms
1-phenyl-1H-pyrazole-3-carboxamide 1-phenylpyrazole-3-carboxamide MFCD11646040 SCHEMBL725497 SCHEMBL28815748

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
52.08
TPSA
60.91

LogP / Solubility

WLOGP
0.97
MLOGP
0.85
XLogP3
1.1
Consensus LogP
0.97
Log S (ESOL)
-2.06
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.8
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.92
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)
-3.17

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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