(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one

C19H15ClN2O — CID 6485117

IUPAC(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
SMILESCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H15ClN2O/c1-14-18(12-5-9-15-7-3-2-4-8-15)19(23)22(21-14)17-11-6-10-16(20)13-17/h2-13H,1H3/b9-5+,18-12-
InChIKeyPQPLMTQVKJOXNZ-BIMFAPAISA-N
MW322.80 g/mol
LogP4.70
Rot. Bonds3

About (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one

(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one (PubChem CID 6485117) has the molecular formula C19H15ClN2O and a molecular weight of 322.80 g/mol. Its IUPAC name is (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
PubChem CID6485117
Molecular FormulaC19H15ClN2O
Molecular Weight322.80 g/mol
Exact Mass322.09
IUPAC Name(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one
SMILESCC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1
InChIInChI=1S/C19H15ClN2O/c1-14-18(12-5-9-15-7-3-2-4-8-15)19(23)22(21-14)17-11-6-10-16(20)13-17/h2-13H,1H3/b9-5+,18-12-
InChIKeyPQPLMTQVKJOXNZ-BIMFAPAISA-N
XLogP4.70
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.80
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_A(201)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

3-Methyl-1-(3'-chlorophenyl)-2-pyrazolin-5-one
CID 66656
4-[(1E)-2-(2-chlorophenyl)-1-azavinyl]-2,3-dimethyl-1-phenyl-2-pyrazolin-5-one
CID 3730021
(4E)-5-methyl-4-(3-methylbenzylidene)-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 5947157
4-(4-chlorobenzoyl)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
CID 11836343
2-(4-chlorophenyl)-6-[4-[2-[(2R)-2-methylpyrrolidin-1-yl]ethyl]phenyl]pyridazin-3-one
CID 44539869
2-(4-chlorophenyl)-4-methyl-1(2H)-phthalazinone
CID 3454514
1-Phenyl-3-methyl-4-benzal-5-pyrazolone
CID 309224
4-(4-Chloro-benzylidene)-5-methyl-2-phenyl-2,4-dihydro-pyrazol-3-one
CID 5285589
3H-Pyrazol-3-one, 4-[[4-(dimethylamino)phenyl]methylene]-2,4-dihydro-5-methyl-2-phenyl-
CID 5472494
3-(3-Chlorophenyl)-1,8,9-trimethyl-6-thia-2,3-diazaspiro[4.5]deca-1,8-dien-4-one
CID 5027282
5-methyl-2-phenyl-4-(3-phenyl-2-propenylidene)-2,4-dihydro-3H-pyrazol-3-one
CID 6339121
CID 6372735
CID 6372735

Frequently Asked Questions

What is the IUPAC name of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
The IUPAC name of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one (CID 6485117) is (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one.
What is the SMILES notation for (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
The canonical SMILES for (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one is CC1=NN(c2cccc(Cl)c2)C(=O)/C1=C\C=C\c1ccccc1.
What is the InChIKey of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
The InChIKey is PQPLMTQVKJOXNZ-BIMFAPAISA-N. The full InChI is InChI=1S/C19H15ClN2O/c1-14-18(12-5-9-15-7-3-2-4-8-15)19(23)22(21-14)17-11-6-10-16(20)13-17/h2-13H,1H3/b9-5+,18-12-.
What are the key properties of (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one?
(4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one has a molecular weight of 322.80 g/mol, XLogP of 4.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-2-(3-chlorophenyl)-5-methyl-4-[(E)-3-phenylprop-2-enylidene]pyrazol-3-one is sourced from PubChem (CID 6485117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).