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CAS 37599-59-0 1H-pyrazol-4-ylmethylamine molecular structure lightbox
CAS RN: 37599-59-0

1H-pyrazol-4-ylmethylamine

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250823 100mg / 250mg / 500mg Out of stock 5-7 business days Inquiry
  • Product code: starshine_CAS37599-59-0
  • Purity/Analytical Methods: >99.0%
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37599-59-0 / 1H-pyrazol-4-ylmethanamine

Standard CAS: 37599-59-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
37599-59-0
Multi CAS
Yes
Molecular Formula
C4H7N3
Molecular Weight
97.120000
Exact Mass
97.063997
InChI
InChI=1S/C4H7N3/c5-1-4-2-6-7-3-4/h2-3H,1,5H2,(H,6,7)
InChIKey
LIDZELUIEIAIDJ-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
7
Aromatic heavy atom count
5
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
2
H-bond donors
2
Molar refractivity
26.48
TPSA
54.7

LogP / Solubility

WLOGP
-0.13
MLOGP
-0.13
XLogP3
-0.1
Consensus LogP
-0.12
Log S (ESOL)
-0.82
Class (ESOL)
Very soluble
Log S (Ali)
-0.26
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.3
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)
-3.41

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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