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CAS 1397187-17-5 3-(4-Chlorophenyl)-1H-pyrazole-5-carboxamide molecular structure lightbox
CAS RN: 1397187-17-5

3-(4-Chlorophenyl)-1H-pyrazole-5-carboxamide

  • Product code: SSC-050286
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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: ≥97%
  • 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 1397187-17-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥97% 0 Out of Stock Shanghai Inquiry

1397187-17-5 / 3-(3-chlorophenyl)-1H-pyrazole-5-carboxamide

Standard CAS: 1397187-17-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1397187-17-5
Multi CAS
No
Molecular Formula
C10H8ClN3O
Molecular Weight
221.640000
Exact Mass
221.035590
SMILES
C1=CC(=CC(=C1)Cl)C2=NNC(=C2)C(=O)N
InChI
InChI=1S/C10H8ClN3O/c11-7-3-1-2-6(4-7)8-5-9(10(12)15)14-13-8/h1-5H,(H2,12,15)(H,13,14)
InChIKey
GRLDUFMWSZYNSH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
57.55
TPSA
71.77

LogP / Solubility

WLOGP
1.83
MLOGP
1.61
XLogP3
1.7
Consensus LogP
1.71
Log S (ESOL)
-2.78
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.86
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)
-2.77

Drug-likeness / Medicinal Chemistry

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

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