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CAS 122799-95-5 3-AMINO-1-ETHYL-1H-PYRAZOLE-4-CARBONITRILE molecular structure lightbox
CAS RN: 122799-95-5

3-AMINO-1-ETHYL-1H-PYRAZOLE-4-CARBONITRILE

Product Availability

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1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250118 25mg / 50mg / 100mg Out of stock 5-7 business days Inquiry
  • Product code: SSC-026295
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 1g
  • Available purity: ≥95%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 122799-95-5
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Shenzhen Inquiry

122799-95-5 / 3-amino-1-ethylpyrazole-4-carbonitrile

Standard CAS: 122799-95-5 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
122799-95-5
Multi CAS
No
Molecular Formula
C6H8N4
Molecular Weight
136.150000
Exact Mass
136.074896
SMILES
CCN1C=C(C(=N1)N)C#N
InChI
InChI=1S/C6H8N4/c1-2-10-4-5(3-7)6(8)9-10/h4H,2H2,1H3,(H2,8,9)
InChIKey
OALFQLAIPMSUAW-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.33
Rotatable bonds
1
H-bond acceptors
4
H-bond donors
1
Molar refractivity
37.03
TPSA
67.63

LogP / Solubility

WLOGP
0.36
MLOGP
0.31
XLogP3
0.5
Consensus LogP
0.39
Log S (ESOL)
-1.21
Class (ESOL)
Soluble
Log S (Ali)
-0.93
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.96
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)
-3.3

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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