(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one

C20H15N3O — CID 98063836

IUPAC(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2n1
InChIInChI=1S/C20H15N3O/c1-14-18(20(24)23(22-14)17-8-3-2-4-9-17)13-16-12-11-15-7-5-6-10-19(15)21-16/h2-13H,1H3/b18-13-
InChIKeyHTWQJQSZTIUXDN-AQTBWJFISA-N
MW313.36 g/mol
LogP4.04
Rot. Bonds2

About (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one

(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one (PubChem CID 98063836) has the molecular formula C20H15N3O and a molecular weight of 313.36 g/mol. Its IUPAC name is (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one.

Molecular Properties

Compound Name(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one
PubChem CID98063836
Molecular FormulaC20H15N3O
Molecular Weight313.36 g/mol
Exact Mass313.12
IUPAC Name(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one
SMILESCC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2n1
InChIInChI=1S/C20H15N3O/c1-14-18(20(24)23(22-14)17-8-3-2-4-9-17)13-16-12-11-15-7-5-6-10-19(15)21-16/h2-13H,1H3/b18-13-
InChIKeyHTWQJQSZTIUXDN-AQTBWJFISA-N
XLogP4.04
TPSA45.56 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

(4E)-5-methyl-2-phenyl-4-[(2,4,6-trimethylphenyl)methylidene]pyrazol-3-one
CID 94844047
(4E)-5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
CID 6537378
5-methyl-4-(naphthalen-1-ylmethylidene)-2-phenylpyrazol-3-one
CID 695161
(4E)-4-[(4-fluorophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 6537766
4-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 3800498
(4Z)-5-methyl-2-phenyl-4-[(2,4,6-trihydroxyphenyl)methylidene]pyrazol-3-one
CID 136866788
4-[(1-ethylpyrazol-3-yl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 4774616
4-[(2-bromophenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 132897067
(4E)-4-[(4-ethylphenyl)methylidene]-5-methyl-2-phenylpyrazol-3-one
CID 692965
azane;5-methyl-2-phenyl-4-(thiophen-2-ylmethylidene)pyrazol-3-one
CID 70272256
(4Z)-4-(3H-indol-2-ylmethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 5410041
(4E)-4-(dimethylaminomethylidene)-5-methyl-2-phenylpyrazol-3-one
CID 2799571

Frequently Asked Questions

What is the IUPAC name of (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one?
The IUPAC name of (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one (CID 98063836) is (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one.
What is the SMILES notation for (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one?
The canonical SMILES for (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one is CC1=NN(c2ccccc2)C(=O)/C1=C\c1ccc2ccccc2n1.
What is the InChIKey of (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one?
The InChIKey is HTWQJQSZTIUXDN-AQTBWJFISA-N. The full InChI is InChI=1S/C20H15N3O/c1-14-18(20(24)23(22-14)17-8-3-2-4-9-17)13-16-12-11-15-7-5-6-10-19(15)21-16/h2-13H,1H3/b18-13-.
What are the key properties of (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one?
(4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one has a molecular weight of 313.36 g/mol, XLogP of 4.04, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4Z)-5-methyl-2-phenyl-4-(quinolin-2-ylmethylidene)pyrazol-3-one is sourced from PubChem (CID 98063836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).