5-oxo-1,2-dihydropyrazole-3-carboxamide

C4H5N3O2 — CID 19046836

IUPAC5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C4H5N3O2/c5-4(9)2-1-3(8)7-6-2/h1H,(H2,5,9)(H2,6,7,8)
InChIKeyLPWPMUASMQVHBZ-UHFFFAOYSA-N
MW127.10 g/mol
LogP-1.20
Rot. Bonds1

About 5-oxo-1,2-dihydropyrazole-3-carboxamide

5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 19046836) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID19046836
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C4H5N3O2/c5-4(9)2-1-3(8)7-6-2/h1H,(H2,5,9)(H2,6,7,8)
InChIKeyLPWPMUASMQVHBZ-UHFFFAOYSA-N
XLogP-1.20
TPSA91.74 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-1.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of 5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 19046836) is 5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for 5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for 5-oxo-1,2-dihydropyrazole-3-carboxamide is NC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of 5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is LPWPMUASMQVHBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-4(9)2-1-3(8)7-6-2/h1H,(H2,5,9)(H2,6,7,8).
What are the key properties of 5-oxo-1,2-dihydropyrazole-3-carboxamide?
5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 127.10 g/mol, XLogP of -1.20, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 19046836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).