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CAS 1152841-31-0 1-(pyridin-4-ylmethyl)-1H-pyrazol-4-amine molecular structure lightbox
CAS RN: 1152841-31-0

1-(pyridin-4-ylmethyl)-1H-pyrazol-4-amine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260130 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS1152841-31-0
  • Purity/Analytical Methods: >99.0%
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1152841-31-0 / 1-(pyridin-4-ylmethyl)pyrazol-4-amine

1-(pyridin-4-ylmethyl)-1H-pyrazol-4-amine | 1-(pyridin-4-ylmethyl)pyrazol-4-amine | MFCD11128186

Standard CAS: 1152841-31-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1152841-31-0
Multi CAS
No
Molecular Formula
C9H10N4
Molecular Weight
174.200000
Exact Mass
174.090546
SMILES
C1=CN=CC=C1CN2C=C(C=N2)N
InChI
InChI=1S/C9H10N4/c10-9-5-12-13(7-9)6-8-1-3-11-4-2-8/h1-5,7H,6,10H2
InChIKey
CJIHPWPQPCVINA-UHFFFAOYSA-N
Synonyms
1-(pyridin-4-ylmethyl)-1H-pyrazol-4-amine 1-(pyridin-4-ylmethyl)pyrazol-4-amine MFCD11128186 1-[(pyridin-4-yl)methyl]-1H-pyrazol-4-amine SCHEMBL1979091

Computed Properties

Structural Parameters

Heavy atom count
13
Aromatic heavy atom count
11
Fraction Csp3
0.11
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
1
Molar refractivity
49.98
TPSA
56.73

LogP / Solubility

WLOGP
0.91
MLOGP
0.8
XLogP3
0.1
Consensus LogP
0.6
Log S (ESOL)
-1.99
Class (ESOL)
Soluble
Log S (Ali)
-1.64
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.79
Class (SILICOS-IT)
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)
-3.14

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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