1-aminopyrazole-3-carboxamide

C4H6N4O — CID 15152502

IUPAC1-aminopyrazole-3-carboxamide
SMILESNC(=O)c1ccn(N)n1
InChIInChI=1S/C4H6N4O/c5-4(9)3-1-2-8(6)7-3/h1-2H,6H2,(H2,5,9)
InChIKeyYMJUNOJQGXWLQK-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.30
Rot. Bonds1

About 1-aminopyrazole-3-carboxamide

1-aminopyrazole-3-carboxamide (PubChem CID 15152502) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1-aminopyrazole-3-carboxamide.

Molecular Properties

Compound Name1-aminopyrazole-3-carboxamide
PubChem CID15152502
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1-aminopyrazole-3-carboxamide
SMILESNC(=O)c1ccn(N)n1
InChIInChI=1S/C4H6N4O/c5-4(9)3-1-2-8(6)7-3/h1-2H,6H2,(H2,5,9)
InChIKeyYMJUNOJQGXWLQK-UHFFFAOYSA-N
XLogP-1.30
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-1H-pyrazole-5-carboxamide
CID 580973
1H-pyrazole-3-carbaldehyde
CID 12218383
N'-cyclopentylidene-1H-pyrazole-5-carbohydrazide
CID 763137
1H-pyrazole-5-carbohydrazide
CID 7147494
1H-Pyrazole-5-carboxamide
CID 15239624
n-Methyl-1h-pyrazole-3-carboxamide
CID 19704574
1-Methyl-1H-pyrazole-3-carboxamide
CID 13464586
1-methyl-1H-pyrazole-5-carboxamide
CID 7020587
1-methyl-1H-pyrazole-3-carbohydrazide
CID 955611
N'-propan-2-yl-1H-pyrazole-5-carbohydrazide
CID 90679861
4-Fluoro-1h-pyrazole-3-carboxamide
CID 15374528
N-(2-aminoethyl)-1H-pyrazole-5-carboxamide hydrochloride
CID 71758320

Frequently Asked Questions

What is the IUPAC name of 1-aminopyrazole-3-carboxamide?
The IUPAC name of 1-aminopyrazole-3-carboxamide (CID 15152502) is 1-aminopyrazole-3-carboxamide.
What is the SMILES notation for 1-aminopyrazole-3-carboxamide?
The canonical SMILES for 1-aminopyrazole-3-carboxamide is NC(=O)c1ccn(N)n1.
What is the InChIKey of 1-aminopyrazole-3-carboxamide?
The InChIKey is YMJUNOJQGXWLQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-4(9)3-1-2-8(6)7-3/h1-2H,6H2,(H2,5,9).
What are the key properties of 1-aminopyrazole-3-carboxamide?
1-aminopyrazole-3-carboxamide has a molecular weight of 126.12 g/mol, XLogP of -1.30, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-aminopyrazole-3-carboxamide is sourced from PubChem (CID 15152502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).