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CAS 948293-82-1 1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-5-(trifluoromethyl)- molecular structure lightbox
CAS RN: 948293-82-1

1H-Pyrazole-4-carboxylic acid, 1-(2-methylphenyl)-5-(trifluoromethyl)-

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5 package records4 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20251106 100mg In stock Shanghai Inquiry
Batchno.20260125 100mg / 250mg / 1g / 5g Out of stock 8-10 business days Inquiry
Batchno.20260120 1g In stock Shanghai, Tianjin Inquiry
Batchno.20251126 250mg In stock Shanghai Inquiry
Batchno.20250203 5g In stock Tianjin Inquiry
  • Product code: starshine_CAS948293-82-1
  • Purity/Analytical Methods: >99.0%
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948293-82-1 / 1-(2-methylphenyl)-5-(trifluoromethyl)pyrazole-4-carboxylic acid

Standard CAS: 948293-82-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
948293-82-1
Multi CAS
No
Molecular Formula
C12F3H9N2O2
Molecular Weight
270.210000
Exact Mass
270.061612
InChI
InChI=1S/C12H9F3N2O2/c1-7-4-2-3-5-9(7)17-10(12(13,14)15)8(6-16-17)11(18)19/h2-6H,1H3,(H,18,19)
InChIKey
JDYZFAJAKSPCLZ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
19
Aromatic heavy atom count
11
Fraction Csp3
0.17
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
60.26
TPSA
55.12

LogP / Solubility

WLOGP
2.9
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.64
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.87
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.06
Class (SILICOS-IT)
Slightly 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)
-2.31

Drug-likeness / Medicinal Chemistry

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

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