1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone

C22H16N2O2 — CID 45034404

IUPAC1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H16N2O2/c1-15(25)21-20(14-24(23-21)17-10-3-2-4-11-17)22(26)19-13-7-9-16-8-5-6-12-18(16)19/h2-14H,1H3
InChIKeyJBELCXQZBQPDJY-UHFFFAOYSA-N
MW340.38 g/mol
LogP4.46
Rot. Bonds4

About 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone

1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone (PubChem CID 45034404) has the molecular formula C22H16N2O2 and a molecular weight of 340.38 g/mol. Its IUPAC name is 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone.

Molecular Properties

Compound Name1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone
PubChem CID45034404
Molecular FormulaC22H16N2O2
Molecular Weight340.38 g/mol
Exact Mass340.12
IUPAC Name1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone
SMILESCC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc2ccccc12
InChIInChI=1S/C22H16N2O2/c1-15(25)21-20(14-24(23-21)17-10-3-2-4-11-17)22(26)19-13-7-9-16-8-5-6-12-18(16)19/h2-14H,1H3
InChIKeyJBELCXQZBQPDJY-UHFFFAOYSA-N
XLogP4.46
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[4-(benzo[e][1]benzofuran-2-carbonyl)-1-phenylpyrazol-3-yl]ethanone
CID 11326471
1-(3-acetyl-1-phenylpyrazol-4-yl)propan-1-one
CID 71418103
ethyl 1-(4-methylphenyl)-4-(naphthalene-1-carbonyl)pyrazole-3-carboxylate
CID 1214564
1-[4-benzoyl-1-(3-bromophenyl)pyrazol-3-yl]ethanone
CID 1214642
2-[3-acetyl-1-(4-chlorophenyl)pyrazole-4-carbonyl]benzo[f]chromen-3-one
CID 155816792
1-(4-nitro-1-phenylpyrazol-3-yl)ethanone
CID 58234886
naphthalen-1-yl-(1-phenylindol-3-yl)methanone
CID 175269480
1-(1-phenyl-3-trimethylsilylpyrazol-4-yl)ethanone
CID 15984451
dimethyl 1-phenylpyrazole-3,4-dicarboxylate
CID 648745
naphthalen-1-ylmethyl 4-hydroxy-1-phenylpyrazole-3-carboxylate
CID 2544683
1-[1-(4-chlorophenyl)-4-(4-methylbenzoyl)pyrazol-3-yl]ethanone
CID 902113
ethyl 4-(5-methyl-1-phenylpyrazole-4-carbonyl)-1-phenylpyrazole-3-carboxylate
CID 25148399

Frequently Asked Questions

What is the IUPAC name of 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The IUPAC name of 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone (CID 45034404) is 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone.
What is the SMILES notation for 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The canonical SMILES for 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone is CC(=O)c1nn(-c2ccccc2)cc1C(=O)c1cccc2ccccc12.
What is the InChIKey of 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
The InChIKey is JBELCXQZBQPDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N2O2/c1-15(25)21-20(14-24(23-21)17-10-3-2-4-11-17)22(26)19-13-7-9-16-8-5-6-12-18(16)19/h2-14H,1H3.
What are the key properties of 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone?
1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone has a molecular weight of 340.38 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(naphthalene-1-carbonyl)-1-phenylpyrazol-3-yl]ethanone is sourced from PubChem (CID 45034404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).