[email protected]
CAS 125144-04-9 1H-Pyrazole-3-carbonitrile,5-amino-(9CI) molecular structure lightbox
CAS RN: 125144-04-9

1H-Pyrazole-3-carbonitrile,5-amino-(9CI)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250915 100mg / 250mg / 1g Out of stock 5-7 business days Inquiry
  • Product code: SSC-029845
GET A QUOTE
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
Request Bulk Quote

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 125144-04-9
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

125144-04-9 / 3-amino-1H-pyrazole-5-carbonitrile

Standard CAS: 125144-04-9 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
125144-04-9
Multi CAS
No
Molecular Formula
C4H4N4
Molecular Weight
108.100000
Exact Mass
108.043596
SMILES
C1=C(NN=C1N)C#N
InChI
InChI=1S/C4H4N4/c5-2-3-1-4(6)8-7-3/h1H,(H3,6,7,8)
InChIKey
CLPXHJRACWYTNN-UHFFFAOYSA-N

Computed Properties

Structural Parameters

Heavy atom count
8
Aromatic heavy atom count
5
H-bond acceptors
3
H-bond donors
2
Molar refractivity
27.72
TPSA
78.49

LogP / Solubility

WLOGP
-0.14
MLOGP
-0.13
XLogP3
-0.1
Consensus LogP
-0.12
Log S (ESOL)
-0.89
Class (ESOL)
Very soluble
Log S (Ali)
-0.35
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.25
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)
-3.48

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

Safety & Transport

Pictogram(s)
Acute Toxic Irritant
Signal
Danger
GHS Hazard Statements
H301 (50%): Toxic if swallowed [Danger Acute toxicity, oral] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H311 (50%): Toxic in contact with skin [Danger Acute toxicity, dermal] H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal] H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement Codes
P261, P262, P264, P264+P265, P270, P271, P280, P301+P316, P301+P317, P302+P352, P304+P340, P305+P351+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P403+P233, P405, and P501

Customers Also Viewed

Get In Touch

Contact Us