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CAS 176969-34-9 3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid molecular structure lightbox
CAS RN: 176969-34-9

3-(Difluoromethyl)-1-methyl-1H-pyrazole-4-carboxylic Acid

Product Availability

Choose a grade to view its available package options.

6 package records6 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20250922 100g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20250418 10g In stock Shanghai, Shenzhen, Tianjin, Chengdu Inquiry
Batchno.20260626 1g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260408 25g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
Batchno.20250517 500g In stock Shanghai, Shenzhen, Tianjin, Wuhan Inquiry
Batchno.20260414 5g In stock Shanghai, Shenzhen, Tianjin, Wuhan, Chengdu Inquiry
  • Product code: SSC-077417
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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: 100g
  • 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 176969-34-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
100g ＞97% 0 Out of Stock Shenzhen Inquiry

176969-34-9 / 3-(difluoromethyl)-1-methylpyrazole-4-carboxylic acid

Standard CAS: 176969-34-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
176969-34-9
Multi CAS
No
Molecular Formula
C6H6F2N2O2
Molecular Weight
176.120000
Exact Mass
176.039734
SMILES
CN1C=C(C(=N1)C(F)F)C(=O)O
InChI
InChI=1S/C6H6F2N2O2/c1-10-2-3(6(11)12)4(9-10)5(7)8/h2,5H,1H3,(H,11,12)
InChIKey
RLOHOBNEYHBZID-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
12
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
35.12
TPSA
55.12

LogP / Solubility

WLOGP
1.06
MLOGP
0.93
XLogP3
0.4
Consensus LogP
0.8
Log S (ESOL)
-1.77
Class (ESOL)
Soluble
Log S (Ali)
-1.77
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)
-3.04

Drug-likeness / Medicinal Chemistry

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

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 149 of 154 companies (only 3.2% companies provided GHS information). For more detailed information, please visit ECHA C&L website.

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