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CAS 372075-75-7 3-trifluoromethyl-1-methyl-1H-5-chloroPyrazole molecular structure lightbox
CAS RN: 372075-75-7

3-trifluoromethyl-1-methyl-1H-5-chloroPyrazole

  • Product code: SSC-144541
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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 372075-75-7
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shanghai Inquiry

372075-75-7 / 5-chloro-1-methyl-3-(trifluoromethyl)pyrazole

Standard CAS: 372075-75-7 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
372075-75-7
Multi CAS
Yes
Molecular Formula
C5H4CLF3N2
Molecular Weight
184.550000
Exact Mass
184.001510
InChI
InChI=1S/C5H4ClF3N2/c1-11-4(6)2-3(10-11)5(7,8)9/h2H,1H3
InChIKey
AXVYNMMTYBGOFD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
11
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
2
Molar refractivity
33.22
TPSA
17.82

LogP / Solubility

WLOGP
2.09
MLOGP
1.84
XLogP3
2.1
Consensus LogP
2.01
Log S (ESOL)
-2.64
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.58
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.6
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)
-2.36

Drug-likeness / Medicinal Chemistry

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

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