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CAS 4331-28-6 1H-PYRAZOL-4-AMINE HYDROCHLORIDE molecular structure lightbox
CAS RN: 4331-28-6

1H-PYRAZOL-4-AMINE HYDROCHLORIDE

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5 package records5 with current stock1 grade group
Batch No.PackageAvailabilityInquiry
Batchno.20260521 10g In stock Inquiry
Batchno.20250420 1g In stock Inquiry
Batchno.20250303 250mg In stock Inquiry
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Batchno.20250222 5g In stock Inquiry
  • Product code: starshine_CAS4331-28-6
  • Purity/Analytical Methods: >99.0%
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4331-28-6 / 1H-pyrazol-4-amine;hydrochloride

Standard CAS: 4331-28-6 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
4331-28-6
Multi CAS
Yes
Molecular Formula
C3H6CLN3
Molecular Weight
119.550000
Exact Mass
119.025025
InChI
InChI=1S/C3H5N3.ClH/c4-3-1-5-6-2-3;/h1-2H,4H2,(H,5,6);1H
InChIKey
KZDSLIPVDTVHLL-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
H-bond acceptors
2
H-bond donors
2
Molar refractivity
30.25
TPSA
54.7

LogP / Solubility

WLOGP
0.41
MLOGP
0.35
XLogP3
0.41
Consensus LogP
0.39
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-0.84
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.78
Class (SILICOS-IT)
Very 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)
-3.16

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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