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

C5H7N3O2 — CID 45084132

IUPACN-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C5H7N3O2/c1-6-5(10)3-2-4(9)8-7-3/h2H,1H3,(H,6,10)(H2,7,8,9)
InChIKeyWMMOGTYSAOHGME-UHFFFAOYSA-N
MW141.13 g/mol
LogP-0.94
Rot. Bonds1

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

N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (PubChem CID 45084132) has the molecular formula C5H7N3O2 and a molecular weight of 141.13 g/mol. Its IUPAC name is N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
PubChem CID45084132
Molecular FormulaC5H7N3O2
Molecular Weight141.13 g/mol
Exact Mass141.05
IUPAC NameN-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
SMILESCNC(=O)c1cc(=O)[nH][nH]1
InChIInChI=1S/C5H7N3O2/c1-6-5(10)3-2-4(9)8-7-3/h2H,1H3,(H,6,10)(H2,7,8,9)
InChIKeyWMMOGTYSAOHGME-UHFFFAOYSA-N
XLogP-0.94
TPSA77.75 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.13
LogP ≤ 5-0.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Related Compounds

3-hydroxy-1-methyl-1H-pyrazole-5-carbohydrazide
CID 2818541
5-oxo-2,5-dihydro-1H-pyrazole-3-carboxamide
CID 19046836
N-methyl-5-oxopyrazole-3-carboxamide
CID 20033975
5-(Methylaminomethyl)-1,2-dihydropyrazol-3-one
CID 20607212
N,N,2-trimethyl-3-oxo-1H-pyrazole-5-carboxamide
CID 24780684
5-Hydroxy-1-methyl-1H-pyrazole-3-carboxamide
CID 45084159
N-butyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 53992180
5-amino-2-methyl-1H-pyridazine-3,6-dione
CID 55289845
4-amino-N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 68127882
1-methyl-3-[(methylamino)methyl]-1H-pyrazol-5-ol
CID 83845449
N-ethyl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 108466350
N-butan-2-yl-5-oxo-1,2-dihydropyrazole-3-carboxamide
CID 110600660

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The IUPAC name of N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide (CID 45084132) is N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide.
What is the SMILES notation for N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The canonical SMILES for N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is CNC(=O)c1cc(=O)[nH][nH]1.
What is the InChIKey of N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
The InChIKey is WMMOGTYSAOHGME-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H7N3O2/c1-6-5(10)3-2-4(9)8-7-3/h2H,1H3,(H,6,10)(H2,7,8,9).
What are the key properties of N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide?
N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide has a molecular weight of 141.13 g/mol, XLogP of -0.94, 1 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-oxo-1,2-dihydropyrazole-3-carboxamide is sourced from PubChem (CID 45084132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).