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CAS 1427475-28-2 1-Benzylpyrazole-3-carbonitrile molecular structure lightbox
CAS RN: 1427475-28-2

1-Benzylpyrazole-3-carbonitrile

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250805 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-053940
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Verified Factory Data

Supply Overview & Packaging Options

Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.

  • Pack sizes on record: 0.1g, 0.25g, 1g, 5g
  • Available purity: >95%
  • Inventory rows with stock: 4
  • Bulk packaging: confirmed by inquiry
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Available Pack Sizes & Stock

Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 1427475-28-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >95% 5 In Stock Hong Kong Inquiry
0.25g >95% 5 In Stock Shenzhen Inquiry
1g >95% 5 In Stock Shanghai Inquiry
5g >95% 5 In Stock Shenzhen Inquiry

1427475-28-2 / 1-benzylpyrazole-3-carbonitrile

Standard CAS: 1427475-28-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1427475-28-2
Multi CAS
No
Molecular Formula
C11H9N3
Molecular Weight
183.210000
Exact Mass
183.079647
SMILES
C1=CC=C(C=C1)CN2C=CC(=N2)C#N
InChI
InChI=1S/C11H9N3/c12-8-11-6-7-14(13-11)9-10-4-2-1-3-5-10/h1-7H,9H2
InChIKey
JVLQVIPFAWLBCD-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
14
Aromatic heavy atom count
11
Fraction Csp3
0.09
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
52.49
TPSA
41.61

LogP / Solubility

WLOGP
1.8
MLOGP
1.58
XLogP3
1.9
Consensus LogP
1.76
Log S (ESOL)
-2.56
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.36
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.59
Class (SILICOS-IT)
Moderately soluble

ADME

GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.56

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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