[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone

C22H15ClN2O — CID 12737865

IUPAC[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C22H15ClN2O/c23-18-11-13-19(14-12-18)25-15-20(22(26)17-9-5-2-6-10-17)21(24-25)16-7-3-1-4-8-16/h1-15H
InChIKeyFBOXKXDEVHZJGB-UHFFFAOYSA-N
MW358.83 g/mol
LogP5.42
Rot. Bonds4

About [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone

[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone (PubChem CID 12737865) has the molecular formula C22H15ClN2O and a molecular weight of 358.83 g/mol. Its IUPAC name is [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone.

Molecular Properties

Compound Name[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
PubChem CID12737865
Molecular FormulaC22H15ClN2O
Molecular Weight358.83 g/mol
Exact Mass358.09
IUPAC Name[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone
SMILESO=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1
InChIInChI=1S/C22H15ClN2O/c23-18-11-13-19(14-12-18)25-15-20(22(26)17-9-5-2-6-10-17)21(24-25)16-7-3-1-4-8-16/h1-15H
InChIKeyFBOXKXDEVHZJGB-UHFFFAOYSA-N
XLogP5.42
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.83
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-chlorophenyl)-4-methyl-3-phenylpyrazole
CID 683196
1-(4-fluorophenyl)-3-phenylpyrazole-4-carboxylic acid
CID 43217709
(1-phenylethenylamino) 3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxylate
CID 2339151
3-(4-chlorophenyl)-1-pyridin-4-ylpyrazole-4-carboxylic acid
CID 43543103
3-(4-chlorophenyl)-N-[4-(methylcarbamoyl)phenyl]-1-phenylpyrazole-4-carboxamide
CID 26311448
N'-[3-(4-chlorophenyl)-1-phenylpyrazole-4-carbonyl]pyridine-3-carbohydrazide
CID 29205060
N-[2-(4-chlorophenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 18205042
2-(1,3-diphenylpyrazol-4-yl)prop-2-enoic acid
CID 69067763
CID 67048003
CID 67048003
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzamide
CID 19290337
3-(4-chlorophenyl)-1-phenylpyrazol-4-ol
CID 99938046
N-(4-acetylphenyl)-3-(4-chlorophenyl)-1-phenylpyrazole-4-carboxamide
CID 1068310

Frequently Asked Questions

What is the IUPAC name of [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone?
The IUPAC name of [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone (CID 12737865) is [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone.
What is the SMILES notation for [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone?
The canonical SMILES for [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone is O=C(c1ccccc1)c1cn(-c2ccc(Cl)cc2)nc1-c1ccccc1.
What is the InChIKey of [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone?
The InChIKey is FBOXKXDEVHZJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15ClN2O/c23-18-11-13-19(14-12-18)25-15-20(22(26)17-9-5-2-6-10-17)21(24-25)16-7-3-1-4-8-16/h1-15H.
What are the key properties of [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone?
[1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone has a molecular weight of 358.83 g/mol, XLogP of 5.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-chlorophenyl)-3-phenylpyrazol-4-yl]-phenylmethanone is sourced from PubChem (CID 12737865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).