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CAS 92721-83-0 3-METHYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 92721-83-0

3-METHYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-AMINE HYDROCHLORIDE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250330 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS92721-83-0
  • Purity/Analytical Methods: >99.0%
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92721-83-0 / 5-methyl-2-(3-methylphenyl)pyrazol-3-amine

Standard CAS: 92721-83-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
92721-83-0
Multi CAS
Yes
Molecular Formula
C11H13N3
Molecular Weight
187.240000
Exact Mass
187.110947
InChI
InChI=1S/C11H13N3/c1-8-4-3-5-10(6-8)14-11(12)7-9(2)13-14/h3-7H,12H2,1-2H3
InChIKey
HRJSLUPAMXKPPM-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.18
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
57.45
TPSA
43.84

LogP / Solubility

WLOGP
2.07
MLOGP
1.82
XLogP3
2.3
Consensus LogP
2.06
Log S (ESOL)
-2.82
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.59
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.72
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.39

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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