3-amino-1H-pyrazole-5-carboxamide

C4H6N4O — CID 50896559

IUPAC3-amino-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C4H6N4O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H3,5,7,8)
InChIKeyRMTDSXQVNSXONV-UHFFFAOYSA-N
MW126.12 g/mol
LogP-0.91
Rot. Bonds1

About 3-amino-1H-pyrazole-5-carboxamide

3-amino-1H-pyrazole-5-carboxamide (PubChem CID 50896559) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 3-amino-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-amino-1H-pyrazole-5-carboxamide
PubChem CID50896559
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name3-amino-1H-pyrazole-5-carboxamide
SMILESNC(=O)c1cc(N)n[nH]1
InChIInChI=1S/C4H6N4O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H3,5,7,8)
InChIKeyRMTDSXQVNSXONV-UHFFFAOYSA-N
XLogP-0.91
TPSA97.79 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-0.91
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-amino-1H-pyrazole-5-carboxamide (CID 50896559) is 3-amino-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-amino-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-amino-1H-pyrazole-5-carboxamide is NC(=O)c1cc(N)n[nH]1.
What is the InChIKey of 3-amino-1H-pyrazole-5-carboxamide?
The InChIKey is RMTDSXQVNSXONV-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3-1-2(4(6)9)7-8-3/h1H,(H2,6,9)(H3,5,7,8).
What are the key properties of 3-amino-1H-pyrazole-5-carboxamide?
3-amino-1H-pyrazole-5-carboxamide has a molecular weight of 126.12 g/mol, XLogP of -0.91, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 50896559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).