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CAS 1202993-11-0 5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid molecular structure lightbox
CAS RN: 1202993-11-0

5-Chloro-3-(difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid

Product Availability

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250615 100mg In stock Shanghai Inquiry
Batchno.20260407 100mg / 250mg / 1g / 5g / 25g Confirm by inquiry Shandong, Shanghai Inquiry
Batchno.20260130 1g In stock Shanghai Inquiry
Batchno.20260409 250mg In stock Shanghai, Shenzhen Inquiry
Batchno.20250911 5g In stock Shanghai Inquiry
  • Product code: SSC-021167
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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 1202993-11-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞97% 0 Out of Stock Shanghai Inquiry

1202993-11-0 / 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid

5-CHLORO-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID | MFCD12827693 | 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid

Standard CAS: 1202993-11-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1202993-11-0
Multi CAS
No
Molecular Formula
C6H5ClF2N2O2
Molecular Weight
210.560000
Exact Mass
210.000761
SMILES
CN1C(=C(C(=N1)C(F)F)C(=O)O)Cl
InChI
InChI=1S/C6H5ClF2N2O2/c1-11-4(7)2(6(12)13)3(10-11)5(8)9/h5H,1H3,(H,12,13)
InChIKey
VXTQDSCLSCPLPV-UHFFFAOYSA-N
Synonyms
5-CHLORO-3-(DIFLUOROMETHYL)-1-METHYL-1H-PYRAZOLE-4-CARBOXYLIC ACID MFCD12827693 5-chloro-3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid 5-chloro-3-(difluoromethyl)-1-methyl-pyrazole-4-carboxylic acid VXTQDSCLSCPLPV-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.13
TPSA
55.12

LogP / Solubility

WLOGP
1.71
MLOGP
1.51
XLogP3
1.4
Consensus LogP
1.54
Log S (ESOL)
-2.37
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.52
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.69
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)
-2.79

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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