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CAS 1152939-86-0 2-(4-amino-1H-pyrazol-1-yl)acetamide molecular structure lightbox
CAS RN: 1152939-86-0

2-(4-amino-1H-pyrazol-1-yl)acetamide

  • Product code: SSC-015038
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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, 10g
  • Available purity: >97%
  • 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 1152939-86-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
0.1g >97% 1 In Stock Beijing Inquiry
0.25g >97% 1 In Stock Shenzhen Inquiry
1g >97% 1 In Stock Hong Kong Inquiry
5g >97% 1 In Stock Beijing Inquiry
10g >97% 0 Out of Stock Hong Kong Inquiry

1152939-86-0 / 2-(4-aminopyrazol-1-yl)acetamide

2-(4-amino-1H-pyrazol-1-yl)acetamide | RefChem:456656 | 863-512-0

Standard CAS: 1152939-86-0 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
1152939-86-0
Multi CAS
No
Molecular Formula
C5H8N4O
Molecular Weight
140.140000
Exact Mass
140.069811
SMILES
C1=C(C=NN1CC(=O)N)N
InChI
InChI=1S/C5H8N4O/c6-4-1-8-9(2-4)3-5(7)10/h1-2H,3,6H2,(H2,7,10)
InChIKey
MAVOONNUTMUHHG-UHFFFAOYSA-N
Synonyms
2-(4-amino-1H-pyrazol-1-yl)acetamide RefChem:456656 863-512-0 4-Aminopyrazole-1-acetamide 2-(4-aminopyrazol-1-yl)acetamide

Computed Properties

Structural Parameters

Heavy atom count
10
Aromatic heavy atom count
5
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
35.83
TPSA
86.93

LogP / Solubility

WLOGP
-1.05
MLOGP
-0.93
XLogP3
-1.4
Consensus LogP
-1.13
Log S (ESOL)
-0.29
Class (ESOL)
Very soluble
Log S (Ali)
0.05
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.06
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.32

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)
Irritant
Signal
Warning
GHS Hazard Statements
H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

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