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

C22H17ClN2O — CID 84973181

IUPAC[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-25(21)22(26)17-10-5-2-6-11-17/h1-14,21H,15H2
InChIKeyATHCWKUWRUPNLF-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.33
Rot. Bonds3

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

[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (PubChem CID 84973181) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
PubChem CID84973181
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name[3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone
SMILESO=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1
InChIInChI=1S/C22H17ClN2O/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-25(21)22(26)17-10-5-2-6-11-17/h1-14,21H,15H2
InChIKeyATHCWKUWRUPNLF-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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Frequently Asked Questions

What is the IUPAC name of [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The IUPAC name of [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone (CID 84973181) is [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone.
What is the SMILES notation for [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The canonical SMILES for [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is O=C(c1ccccc1)N1N=C(c2ccccc2)CC1c1cccc(Cl)c1.
What is the InChIKey of [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
The InChIKey is ATHCWKUWRUPNLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-19-13-7-12-18(14-19)21-15-20(16-8-3-1-4-9-16)24-25(21)22(26)17-10-5-2-6-11-17/h1-14,21H,15H2.
What are the key properties of [3-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone?
[3-(3-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-(3-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-phenylmethanone is sourced from PubChem (CID 84973181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).