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CAS 66000-40-6 4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine molecular structure lightbox
CAS RN: 66000-40-6

4,5-dihydro-1-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-amine

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20251026 50mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS66000-40-6
  • Purity/Analytical Methods: >99.0%
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66000-40-6 / 2-[3-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-5-amine

Standard CAS: 66000-40-6 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
66000-40-6
Multi CAS
No
Molecular Formula
C10F3H10N3
Molecular Weight
229.200000
Exact Mass
229.082682
InChI
InChI=1S/C10H10F3N3/c11-10(12,13)7-2-1-3-8(6-7)16-5-4-9(14)15-16/h1-3,6H,4-5H2,(H2,14,15)
InChIKey
CPXGGWXJNQSFEP-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
16
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.03
TPSA
41.62

LogP / Solubility

WLOGP
2.19
MLOGP
1.93
XLogP3
1.8
Consensus LogP
1.97
Log S (ESOL)
-2.85
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.09
Class (SILICOS-IT)
Poorly 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)
-2.56

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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