(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one

C15H14N2O — CID 97462404

IUPAC(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one
SMILESCn1cc(C(=O)/C=C/C=C\c2ccccc2)cn1
InChIInChI=1S/C15H14N2O/c1-17-12-14(11-16-17)15(18)10-6-5-9-13-7-3-2-4-8-13/h2-12H,1H3/b9-5-,10-6+
InChIKeyJRLDAKRQTNTXCU-VTBWALSUSA-N
MW238.29 g/mol
LogP2.87
Rot. Bonds4

About (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one

(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one (PubChem CID 97462404) has the molecular formula C15H14N2O and a molecular weight of 238.29 g/mol. Its IUPAC name is (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one.

Molecular Properties

Compound Name(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one
PubChem CID97462404
Molecular FormulaC15H14N2O
Molecular Weight238.29 g/mol
Exact Mass238.11
IUPAC Name(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one
SMILESCn1cc(C(=O)/C=C/C=C\c2ccccc2)cn1
InChIInChI=1S/C15H14N2O/c1-17-12-14(11-16-17)15(18)10-6-5-9-13-7-3-2-4-8-13/h2-12H,1H3/b9-5-,10-6+
InChIKeyJRLDAKRQTNTXCU-VTBWALSUSA-N
XLogP2.87
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(2Z,4E)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 54612350
(2E,4Z)-1-(4-methylphenyl)-5-phenylpenta-2,4-dien-1-one
CID 92526505
(E)-1-(1-methylpyrazol-4-yl)-3-(4-phenylmethoxyphenyl)prop-2-en-1-one
CID 19543215
(E)-1-(1-methylpyrazol-4-yl)-3-(4-methylsulfanylphenyl)prop-2-en-1-one
CID 47079842
(E)-1-(1-methylpyrazol-4-yl)-3-(1H-pyrrol-2-yl)prop-2-en-1-one
CID 19543332
(E)-3-(3,4-dimethylphenyl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 47079831
(E)-3-(1-methylpyrazol-3-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543302
(E)-3-(5-benzylthiophen-2-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543323
(E)-3-(1,3-diphenylpyrazol-4-yl)-1-(1-methylpyrazol-4-yl)prop-2-en-1-one
CID 19543200
(2E,4E)-5-(4-hydroxyphenyl)-1-phenylpenta-2,4-dien-1-one
CID 134140486
CID 11375425
CID 11375425
(2E,4E)-1-(4-anilinophenyl)-5-phenylpenta-2,4-dien-1-one
CID 171377751

Frequently Asked Questions

What is the IUPAC name of (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one?
The IUPAC name of (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one (CID 97462404) is (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one.
What is the SMILES notation for (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one?
The canonical SMILES for (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one is Cn1cc(C(=O)/C=C/C=C\c2ccccc2)cn1.
What is the InChIKey of (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one?
The InChIKey is JRLDAKRQTNTXCU-VTBWALSUSA-N. The full InChI is InChI=1S/C15H14N2O/c1-17-12-14(11-16-17)15(18)10-6-5-9-13-7-3-2-4-8-13/h2-12H,1H3/b9-5-,10-6+.
What are the key properties of (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one?
(2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one has a molecular weight of 238.29 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2E,4Z)-1-(1-methylpyrazol-4-yl)-5-phenylpenta-2,4-dien-1-one is sourced from PubChem (CID 97462404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).