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CAS 942060-04-0 5-methyl-3-(trifluoromethyl)-1H-pyrazole molecular structure lightbox
CAS RN: 942060-04-0

5-methyl-3-(trifluoromethyl)-1H-pyrazole

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5 package records4 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 1g In stock Inquiry
Batchno.20251110 250mg In stock Inquiry
Batchno.20260413 50mg In stock Inquiry
Batchno.20251019 5g In stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250309 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS942060-04-0
  • Purity/Analytical Methods: >99.0%
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942060-04-0 / 5-methyl-3-(trifluoromethyl)-1H-pyrazole

Standard CAS: 942060-04-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
942060-04-0
Multi CAS
No
Molecular Formula
C5F3H5N2
Molecular Weight
150.100000
Exact Mass
150.040483
InChI
InChI=1S/C5H5F3N2/c1-3-2-4(10-9-3)5(6,7)8/h2H,1H3,(H,9,10)
InChIKey
DLCHCAYDSKIFIN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.4
H-bond acceptors
1
H-bond donors
1
Molar refractivity
28.33
TPSA
28.68

LogP / Solubility

WLOGP
1.74
MLOGP
1.52
XLogP3
1.5
Consensus LogP
1.59
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.04
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.08
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)
-2.4

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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