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CAS 898537-77-4 3-TERT-BUTYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-AMINE molecular structure lightbox
CAS RN: 898537-77-4

3-TERT-BUTYL-1-(3-METHYLPHENYL)-1H-PYRAZOL-5-AMINE

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4 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250512 100mg Out of stock Inquiry
Batchno.20250211 1g Out of stock Inquiry
Batchno.20250505 250mg Out of stock Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250509 250mg / 1g / 5g Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS898537-77-4
  • Purity/Analytical Methods: >99.0%
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898537-77-4 / 3-tert-butyl-1-(3-methylphenyl)pyrazol-5-amine

Standard CAS: 898537-77-4 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
898537-77-4
Multi CAS
No
Molecular Formula
C14H19N3
Molecular Weight
229.320000
Exact Mass
229.157898
InChI
InChI=1S/C14H19N3/c1-10-6-5-7-11(8-10)17-13(15)9-12(16-17)14(2,3)4/h5-9H,15H2,1-4H3
InChIKey
YDYDGSYHOOCUPO-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
71.41
TPSA
43.84

LogP / Solubility

WLOGP
3.06
MLOGP
2.7
XLogP3
3.6
Consensus LogP
3.12
Log S (ESOL)
-3.6
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.65
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.81
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)
-1.95

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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