[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

C22H17ClN2O — CID 4685291

IUPAC[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(26)18-9-5-2-6-10-18/h1-14,21H,15H2
InChIKeyYREKUTRUZDJUJZ-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.33
Rot. Bonds3

About [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone

[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 4685291) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID4685291
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(26)18-9-5-2-6-10-18/h1-14,21H,15H2
InChIKeyYREKUTRUZDJUJZ-UHFFFAOYSA-N
XLogP5.33
TPSA32.67 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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4-[(4-Chlorophenyl)methyl]-2-[2-(1-methylpyrrolidin-2-yl)ethyl]phthalazin-1-one
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4-(4-chlorobenzyl)-2-methylphthalazin-1(2H)-one
CID 11522042
(2-Fluorophenyl)-[3-(2-fluorophenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 2952491
(S)-Azelastine
CID 12831281
Desmethylazelastine
CID 162558
4-(4-chlorobenzyl)-2-allylphthalazin-1(2H)-one
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4-[(4-chlorophenyl)methyl]-2-[[(2R)-1-methylpyrrolidin-2-yl]methyl]phthalazin-1-one
CID 15254720

Frequently Asked Questions

What is the IUPAC name of [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 4685291) is [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1ccc(Cl)cc1.
What is the InChIKey of [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is YREKUTRUZDJUJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-19-13-11-17(12-14-19)21-15-20(16-7-3-1-4-8-16)24-25(21)22(26)18-9-5-2-6-10-18/h1-14,21H,15H2.
What are the key properties of [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone has a molecular weight of 360.84 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 4685291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).