2-methyl-4-propan-2-yl-4H-pyrazol-3-one

C7H12N2O — CID 59297112

IUPAC2-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1C=NN(C)C1=O
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-8-9(3)7(6)10/h4-6H,1-3H3
InChIKeyRTOWDYGFQXELFP-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.72
Rot. Bonds1

About 2-methyl-4-propan-2-yl-4H-pyrazol-3-one

2-methyl-4-propan-2-yl-4H-pyrazol-3-one (PubChem CID 59297112) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 2-methyl-4-propan-2-yl-4H-pyrazol-3-one.

Molecular Properties

Compound Name2-methyl-4-propan-2-yl-4H-pyrazol-3-one
PubChem CID59297112
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name2-methyl-4-propan-2-yl-4H-pyrazol-3-one
SMILESCC(C)C1C=NN(C)C1=O
InChIInChI=1S/C7H12N2O/c1-5(2)6-4-8-9(3)7(6)10/h4-6H,1-3H3
InChIKeyRTOWDYGFQXELFP-UHFFFAOYSA-N
XLogP0.72
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,4-dimethyl-4H-pyrazol-3-one
CID 535243
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CID 68715981
CID 174088436
CID 174088436
5-[(1S)-1-aminoethyl]-2,4-dimethyl-4H-pyrazol-3-one
CID 83857034
3-butyl-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83238523
1,5-di(propan-2-yl)-2,5-dihydro-1,2,4-triazin-6-one
CID 20641757
3-hydroxy-2-propan-2-yl-1,3-diazinan-4-one
CID 15306182
1,3-dichloro-5-propan-2-ylimidazolidine-2,4-dione
CID 88844619
2,4-dimethyl-5-(2-methylsulfanylphenyl)-4H-pyrazol-3-one
CID 118541968
3-(5-methylhexyl)-2,5-di(propan-2-yl)imidazolidin-4-one
CID 83259998
1-methyl-3-propan-2-ylpiperidin-2-one
CID 58763606
ethane;1-methyl-3-propan-2-ylpyrrolidine-2,5-dione
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The IUPAC name of 2-methyl-4-propan-2-yl-4H-pyrazol-3-one (CID 59297112) is 2-methyl-4-propan-2-yl-4H-pyrazol-3-one.
What is the SMILES notation for 2-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The canonical SMILES for 2-methyl-4-propan-2-yl-4H-pyrazol-3-one is CC(C)C1C=NN(C)C1=O.
What is the InChIKey of 2-methyl-4-propan-2-yl-4H-pyrazol-3-one?
The InChIKey is RTOWDYGFQXELFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c1-5(2)6-4-8-9(3)7(6)10/h4-6H,1-3H3.
What are the key properties of 2-methyl-4-propan-2-yl-4H-pyrazol-3-one?
2-methyl-4-propan-2-yl-4H-pyrazol-3-one has a molecular weight of 140.19 g/mol, XLogP of 0.72, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4-propan-2-yl-4H-pyrazol-3-one is sourced from PubChem (CID 59297112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).