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CAS 19532-40-2 1-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid molecular structure lightbox
CAS RN: 19532-40-2

1-(4-chlorophenyl)-1H-pyrazole-3-carboxylic acid

  • Product code: SSC-092145
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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 19532-40-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

19532-40-2 / 1-(4-chlorophenyl)pyrazole-3-carboxylic acid

Standard CAS: 19532-40-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
19532-40-2
Multi CAS
No
Molecular Formula
C10H7ClN2O2
Molecular Weight
222.630000
Exact Mass
222.019605
SMILES
C1=CC(=CC=C1N2C=CC(=N2)C(=O)O)Cl
InChI
InChI=1S/C10H7ClN2O2/c11-7-1-3-8(4-2-7)13-6-5-9(12-13)10(14)15/h1-6H,(H,14,15)
InChIKey
DMRHUSUJIBVOKA-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Aromatic heavy atom count
11
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.53
TPSA
55.12

LogP / Solubility

WLOGP
2.22
MLOGP
1.96
XLogP3
2.4
Consensus LogP
2.19
Log S (ESOL)
-3.03
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.99
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.19
Class (SILICOS-IT)
Poorly soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.5

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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