![CAS 380238-10-8 3-METHYL-1-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-AMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB1667679(1).gif)
CAS RN: 380238-10-8
3-METHYL-1-[2-(TRIFLUOROMETHYL)PHENYL]-1H-PYRAZOL-5-AMINE
Product Availability
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3 package records2 with current stock1 grade group
- Product code: starshine_CAS380238-10-8
- Purity/Analytical Methods: >99.0%
380238-10-8 / 5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-amine
Basic Information
CAS
380238-10-8
Multi CAS
No
Molecular Formula
C11F3H10N3
Molecular Weight
241.210000
Exact Mass
241.082682
InChI
InChI=1S/C11H10F3N3/c1-7-6-10(15)17(16-7)9-5-3-2-4-8(9)11(12,13)14/h2-6H,15H2,1H3
InChIKey
WRGSUGOZPLVAIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.72
TPSA
43.84
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2.8
Consensus LogP
2.68
Log S (ESOL)
-3.5
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.66
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.22
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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![CAS 380335-54-6 4-(3-CHLORO-2-METHYL-PHENYL)-5-PYRIDIN-4-YL-4H-[1,2,4]TRIAZOLE-3-THIOL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB7290761(1).gif)
