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CAS 88393-88-8 3-(1H-PYRAZOL-1-YL)PROPANENITRILE molecular structure lightbox
CAS RN: 88393-88-8

3-(1H-PYRAZOL-1-YL)PROPANENITRILE

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260419 100mg / 250mg / 1g Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS88393-88-8
  • Purity/Analytical Methods: >99.0%
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88393-88-8 / 3-pyrazol-1-ylpropanenitrile

Standard CAS: 88393-88-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
88393-88-8
Multi CAS
No
Molecular Formula
C6H7N3
Molecular Weight
121.140000
Exact Mass
121.063997
InChI
InChI=1S/C6H7N3/c7-3-1-5-9-6-2-4-8-9/h2,4,6H,1,5H2
InChIKey
SJXLTSDYZRWRQH-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
9
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
32.46
TPSA
41.61

LogP / Solubility

WLOGP
0.8
MLOGP
0.69
XLogP3
-0.8
Consensus LogP
0.23
Log S (ESOL)
-1.37
Class (ESOL)
Soluble
Log S (Ali)
-1.13
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.35
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)
-2.89

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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