5-methyl-2-prop-2-enyl-1H-pyrazol-3-one

C7H10N2O — CID 54483912

IUPAC5-methyl-2-prop-2-enyl-1H-pyrazol-3-one
SMILESC=CCn1[nH]c(C)cc1=O
InChIInChI=1S/C7H10N2O/c1-3-4-9-7(10)5-6(2)8-9/h3,5,8H,1,4H2,2H3
InChIKeyXQYKCJKMGFRDQO-UHFFFAOYSA-N
MW138.17 g/mol
LogP0.67
Rot. Bonds2

About 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one

5-methyl-2-prop-2-enyl-1H-pyrazol-3-one (PubChem CID 54483912) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name5-methyl-2-prop-2-enyl-1H-pyrazol-3-one
PubChem CID54483912
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-methyl-2-prop-2-enyl-1H-pyrazol-3-one
SMILESC=CCn1[nH]c(C)cc1=O
InChIInChI=1S/C7H10N2O/c1-3-4-9-7(10)5-6(2)8-9/h3,5,8H,1,4H2,2H3
InChIKeyXQYKCJKMGFRDQO-UHFFFAOYSA-N
XLogP0.67
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

1,5-dimethyl-2,3-dihydro-1H-pyrazol-3-one
CID 574489
1,3-dimethyl-1H-pyrazol-5-ol
CID 2766847
1-tert-butyl-3-methyl-1H-pyrazol-5-ol
CID 18756431
1-Ethyl-5-hydroxy-3-(trifluoromethyl)pyrazole
CID 15144915
1-Cyclopropyl-3-methyl-1-pyrazol-5-ol
CID 126971897
2-(2-hydroxy-ethyl)-5-methyl-2H-pyrazol-3-ol
CID 12237030
5-Methyl-2-propyl-1,2-dihydro-3H-pyrazol-3-one
CID 12385116
1-Hexyl-3-meth-ylpyrazol-5-one
CID 14252477
2-propyl-5-(trifluoromethyl)-1H-pyrazol-3-one
CID 15144916
1-isopropyl-3-(trifluoromethyl)-1H-pyrazol-5-ol
CID 15144917
5-(fluoromethyl)-2-methyl-1H-pyrazol-3-one
CID 18784503
3-Ethyl-1-methyl-1H-pyrazol-5-ol
CID 22107635

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one?
The IUPAC name of 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one (CID 54483912) is 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one.
What is the SMILES notation for 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one?
The canonical SMILES for 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one is C=CCn1[nH]c(C)cc1=O.
What is the InChIKey of 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one?
The InChIKey is XQYKCJKMGFRDQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-3-4-9-7(10)5-6(2)8-9/h3,5,8H,1,4H2,2H3.
What are the key properties of 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one?
5-methyl-2-prop-2-enyl-1H-pyrazol-3-one has a molecular weight of 138.17 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-prop-2-enyl-1H-pyrazol-3-one is sourced from PubChem (CID 54483912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).