2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one

C19H18N2O — CID 102577871

IUPAC2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one
SMILESC=CCC1(c2ccccc2)C(=O)N(C)N=C1c1ccccc1
InChIInChI=1S/C19H18N2O/c1-3-14-19(16-12-8-5-9-13-16)17(20-21(2)18(19)22)15-10-6-4-7-11-15/h3-13H,1,14H2,2H3
InChIKeyONWGTVAWZSKXFG-UHFFFAOYSA-N
MW290.37 g/mol
LogP3.38
Rot. Bonds4

About 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one

2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one (PubChem CID 102577871) has the molecular formula C19H18N2O and a molecular weight of 290.37 g/mol. Its IUPAC name is 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one.

Molecular Properties

Compound Name2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one
PubChem CID102577871
Molecular FormulaC19H18N2O
Molecular Weight290.37 g/mol
Exact Mass290.14
IUPAC Name2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one
SMILESC=CCC1(c2ccccc2)C(=O)N(C)N=C1c1ccccc1
InChIInChI=1S/C19H18N2O/c1-3-14-19(16-12-8-5-9-13-16)17(20-21(2)18(19)22)15-10-6-4-7-11-15/h3-13H,1,14H2,2H3
InChIKeyONWGTVAWZSKXFG-UHFFFAOYSA-N
XLogP3.38
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-bromo-2-methyl-4,5-diphenylpyrazol-3-one
CID 118538432
4-amino-2,4-dimethyl-5-phenylpyrazol-3-one
CID 13014952
2,4-dimethyl-5-phenyl-4-sulfanylpyrazol-3-one
CID 118538602
2-phenyl-2-prop-2-enylindene-1,3-dione
CID 5121496
5-(4-phenylphenyl)-5-prop-2-enyl-1,3-diazinane-2,4,6-trione
CID 3026925
3-methyl-4-phenyl-4-prop-2-enyl-1,2-oxazol-5-one
CID 102228138
4-(hydroxyamino)-2,4-dimethyl-5-phenylpyrazol-3-one
CID 118541979
(3R)-1-methyl-3-phenyl-3-prop-2-enylindole-2-thione
CID 124861499
4-[2-hydroxy-3-(propan-2-ylamino)propyl]-2,4,5-triphenylpyrazol-3-one
CID 117069030
(3-methyl-2-phenyl-3-prop-2-enylcyclopropen-1-yl)benzene
CID 12584652
2-butan-2-yl-4-phenyl-3-propan-2-yloxy-4-prop-2-enylcyclobut-2-en-1-one
CID 10566011
3-(5-tert-butyl-2-hydroxyphenyl)-1-methyl-3-prop-2-enylindol-2-one
CID 139255179

Frequently Asked Questions

What is the IUPAC name of 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one?
The IUPAC name of 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one (CID 102577871) is 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one.
What is the SMILES notation for 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one?
The canonical SMILES for 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one is C=CCC1(c2ccccc2)C(=O)N(C)N=C1c1ccccc1.
What is the InChIKey of 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one?
The InChIKey is ONWGTVAWZSKXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O/c1-3-14-19(16-12-8-5-9-13-16)17(20-21(2)18(19)22)15-10-6-4-7-11-15/h3-13H,1,14H2,2H3.
What are the key properties of 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one?
2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one has a molecular weight of 290.37 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-4,5-diphenyl-4-prop-2-enylpyrazol-3-one is sourced from PubChem (CID 102577871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).