1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone

C19H18N2O3 — CID 886358

IUPAC1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESCCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O
InChIInChI=1S/C19H18N2O3/c1-2-14-9-16(19(24)10-17(14)22)18(23)8-13-11-20-21(12-13)15-6-4-3-5-7-15/h3-7,9-12,22,24H,2,8H2,1H3
InChIKeyYVZVNJQAUQJLRU-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.27
Rot. Bonds5

About 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone

1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone (PubChem CID 886358) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
PubChem CID886358
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC Name1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone
SMILESCCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O
InChIInChI=1S/C19H18N2O3/c1-2-14-9-16(19(24)10-17(14)22)18(23)8-13-11-20-21(12-13)15-6-4-3-5-7-15/h3-7,9-12,22,24H,2,8H2,1H3
InChIKeyYVZVNJQAUQJLRU-UHFFFAOYSA-N
XLogP3.27
TPSA75.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(5-Fluoro-2-hydroxyphenyl)(1-phenyl-1H-pyrazol-4-yl)methanone
CID 854139
2-Hydroxyphenyl 1-phenyl-1H-pyrazol-4-yl ketone
CID 688697
2-(1-phenyl-1H-pyrazol-4-yl)-1-(2,3,4-trihydroxyphenyl)ethanone
CID 805519
7-Hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-chromen-4-one
CID 5407918
1-(2,4-dihydroxy-6-methylphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692802
7,8-Dihydroxy-2-methyl-3-(1-phenylpyrazol-4-yl)chromen-4-one
CID 5310850
1-(2-hydroxy-4-methoxyphenyl)-2-(1-phenyl-1H-pyrazol-4-yl)ethanone
CID 692803
7-methoxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 786636
8-[(dimethylamino)methyl]-6-ethyl-7-hydroxy-3-(1-phenyl-1H-pyrazol-4-yl)-2-(trifluoromethyl)-4H-chromen-4-one
CID 1324165
6-ethyl-7-hydroxy-2-methyl-3-(1-phenyl-1H-pyrazol-4-yl)-8-(piperidin-1-ylmethyl)-4H-chromen-4-one
CID 1337533
(2-hydroxyphenyl)[1-(4-methylphenyl)-1H-pyrazol-4-yl]methanone
CID 1481829
6-ethyl-7-hydroxy-8-(morpholin-4-ylmethyl)-3-(1-phenyl-1H-pyrazol-4-yl)-4H-chromen-4-one
CID 3242993

Frequently Asked Questions

What is the IUPAC name of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
The IUPAC name of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone (CID 886358) is 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone.
What is the SMILES notation for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
The canonical SMILES for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone is CCc1cc(C(=O)Cc2cnn(-c3ccccc3)c2)c(O)cc1O.
What is the InChIKey of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
The InChIKey is YVZVNJQAUQJLRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-2-14-9-16(19(24)10-17(14)22)18(23)8-13-11-20-21(12-13)15-6-4-3-5-7-15/h3-7,9-12,22,24H,2,8H2,1H3.
What are the key properties of 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone?
1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone has a molecular weight of 322.36 g/mol, XLogP of 3.27, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-ethyl-2,4-dihydroxyphenyl)-2-(1-phenylpyrazol-4-yl)ethanone is sourced from PubChem (CID 886358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).