3-oxo-1H-pyrazole-2-carboxamide

C4H5N3O2 — CID 19431981

IUPAC3-oxo-1H-pyrazole-2-carboxamide
SMILESNC(=O)n1[nH]ccc1=O
InChIInChI=1S/C4H5N3O2/c5-4(9)7-3(8)1-2-6-7/h1-2,6H,(H2,5,9)
InChIKeyPQMBKUUDFXJKPW-UHFFFAOYSA-N
MW127.10 g/mol
LogP-0.90
Rot. Bonds

About 3-oxo-1H-pyrazole-2-carboxamide

3-oxo-1H-pyrazole-2-carboxamide (PubChem CID 19431981) has the molecular formula C4H5N3O2 and a molecular weight of 127.10 g/mol. Its IUPAC name is 3-oxo-1H-pyrazole-2-carboxamide.

Molecular Properties

Compound Name3-oxo-1H-pyrazole-2-carboxamide
PubChem CID19431981
Molecular FormulaC4H5N3O2
Molecular Weight127.10 g/mol
Exact Mass127.04
IUPAC Name3-oxo-1H-pyrazole-2-carboxamide
SMILESNC(=O)n1[nH]ccc1=O
InChIInChI=1S/C4H5N3O2/c5-4(9)7-3(8)1-2-6-7/h1-2,6H,(H2,5,9)
InChIKeyPQMBKUUDFXJKPW-UHFFFAOYSA-N
XLogP-0.90
TPSA80.88 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.10
LogP ≤ 5-0.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2,4(1H,3H)-Pyrimidinedione, amino-
CID 148782
3-oxo-1H-pyrazole-2-carbothioamide
CID 22362516
3-Me thyl-4-amino uracil
CID 129778312
1-(Ethylamino)pyrimidine-2,4-dione
CID 19011867
2-acetyl-1H-pyrazol-3-one
CID 19078694
3-oxo-N-sulfanyl-1H-pyrazole-2-carboxamide
CID 57236973
1,4-Dihydropyrazolo[1,5-a]pyrimidine-2,7-dione
CID 67480363
3-(1,3,3-triaminoprop-2-enylamino)-1H-pyrimidine-2,4-dione
CID 68573562
1-(Prop-2-enylamino)pyrimidine-2,4-dione
CID 68773005
3-(prop-2-enylamino)-1H-pyrimidine-2,4-dione
CID 68773007
(3-oxo-1H-pyrazol-2-yl)urea
CID 69442375
5-oxo-1H-pyrazole-2-carboxamide
CID 69647996

Frequently Asked Questions

What is the IUPAC name of 3-oxo-1H-pyrazole-2-carboxamide?
The IUPAC name of 3-oxo-1H-pyrazole-2-carboxamide (CID 19431981) is 3-oxo-1H-pyrazole-2-carboxamide.
What is the SMILES notation for 3-oxo-1H-pyrazole-2-carboxamide?
The canonical SMILES for 3-oxo-1H-pyrazole-2-carboxamide is NC(=O)n1[nH]ccc1=O.
What is the InChIKey of 3-oxo-1H-pyrazole-2-carboxamide?
The InChIKey is PQMBKUUDFXJKPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5N3O2/c5-4(9)7-3(8)1-2-6-7/h1-2,6H,(H2,5,9).
What are the key properties of 3-oxo-1H-pyrazole-2-carboxamide?
3-oxo-1H-pyrazole-2-carboxamide has a molecular weight of 127.10 g/mol, XLogP of -0.90, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-oxo-1H-pyrazole-2-carboxamide is sourced from PubChem (CID 19431981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).