(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

C18H14N2O2 — CID 9033178

IUPAC(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(O)c1
InChIInChI=1S/C18H14N2O2/c21-17-8-4-5-15(11-17)18(22)10-9-14-12-19-20(13-14)16-6-2-1-3-7-16/h1-13,21H/b10-9+
InChIKeyHFRKJBNABMPUKG-MDZDMXLPSA-N
MW290.32 g/mol
LogP3.47
Rot. Bonds4

About (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one

(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one (PubChem CID 9033178) has the molecular formula C18H14N2O2 and a molecular weight of 290.32 g/mol. Its IUPAC name is (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one.

Molecular Properties

Compound Name(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
PubChem CID9033178
Molecular FormulaC18H14N2O2
Molecular Weight290.32 g/mol
Exact Mass290.11
IUPAC Name(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
SMILESO=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(O)c1
InChIInChI=1S/C18H14N2O2/c21-17-8-4-5-15(11-17)18(22)10-9-14-12-19-20(13-14)16-6-2-1-3-7-16/h1-13,21H/b10-9+
InChIKeyHFRKJBNABMPUKG-MDZDMXLPSA-N
XLogP3.47
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-1-(4-bromophenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 9026830
(E)-1-(3-hydroxyphenyl)-3-phenylprop-2-en-1-one
CID 5356382
N,N-dimethyl-2-[3-[3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetamide
CID 78905766
3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 169482421
(Z)-3-(1-phenylpyrazol-4-yl)prop-2-enamide
CID 170877893
(E)-1-(4-ethoxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 27818685
(E)-1-(3-hydroxyphenyl)-3-(1-phenyl-3-pyridin-3-ylpyrazol-4-yl)prop-2-en-1-one
CID 9448234
5-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenyl]furan-2-carboxylic acid
CID 9034624
3-nitro-N'-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]benzohydrazide
CID 8867207
(E)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-ol
CID 22631090
N,N-dimethyl-2-[4-[(E)-3-(1-phenylpyrazol-4-yl)prop-2-enoyl]phenoxy]acetamide
CID 9033760
(E)-1-(1H-indol-3-yl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one
CID 78874032

Frequently Asked Questions

What is the IUPAC name of (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
The IUPAC name of (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one (CID 9033178) is (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one.
What is the SMILES notation for (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
The canonical SMILES for (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one is O=C(/C=C/c1cnn(-c2ccccc2)c1)c1cccc(O)c1.
What is the InChIKey of (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
The InChIKey is HFRKJBNABMPUKG-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H14N2O2/c21-17-8-4-5-15(11-17)18(22)10-9-14-12-19-20(13-14)16-6-2-1-3-7-16/h1-13,21H/b10-9+.
What are the key properties of (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one?
(E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one has a molecular weight of 290.32 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-(3-hydroxyphenyl)-3-(1-phenylpyrazol-4-yl)prop-2-en-1-one is sourced from PubChem (CID 9033178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).