(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone

C22H17ClN2O — CID 7454978

IUPAC(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H17ClN2O/c23-19-14-8-7-13-18(19)22(26)25-21(17-11-5-2-6-12-17)15-20(24-25)16-9-3-1-4-10-16/h1-14,21H,15H2/t21-/m1/s1
InChIKeySDMRJNRLYVABFY-OAQYLSRUSA-N
MW360.84 g/mol
LogP5.33
Rot. Bonds3

About (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone

(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone (PubChem CID 7454978) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone.

Molecular Properties

Compound Name(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
PubChem CID7454978
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone
SMILESO=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1
InChIInChI=1S/C22H17ClN2O/c23-19-14-8-7-13-18(19)22(26)25-21(17-11-5-2-6-12-17)15-20(24-25)16-9-3-1-4-10-16/h1-14,21H,15H2/t21-/m1/s1
InChIKeySDMRJNRLYVABFY-OAQYLSRUSA-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

(2-chlorophenyl)-[(3S)-5-(2-hydroxyphenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 136790920
(2-chlorophenyl)-[(3S)-3-(furan-2-yl)-5-phenyl-3,4-dihydropyrazol-2-yl]methanone
CID 992022
N-[3-[(3S)-2-(2-chlorobenzoyl)-3-phenyl-3,4-dihydropyrazol-5-yl]phenyl]ethanesulfonamide
CID 41094721
[(3S)-3-(3-bromophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-(2-chlorophenyl)methanone
CID 97072160
(2-chlorophenyl)-[5-(3,4-dimethoxyphenyl)-3-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 3284782
(4-chloro-3-nitrophenyl)-(3,5-diphenyl-3,4-dihydropyrazol-2-yl)methanone
CID 5091400
(3S)-5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazole-2-carboxamide
CID 101242618
1-[5-(4-chlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 14741508
(2-chlorophenyl)-[(3S)-3-(2-hydroxyphenyl)-5-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]methanone
CID 40554560
4-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 846205
1-[5-(3,4-dichlorophenyl)-3-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 5083839
(2-chlorophenyl)-[(3S)-3-thiophen-2-yl-5-thiophen-3-yl-3,4-dihydropyrazol-2-yl]methanone
CID 97306131

Frequently Asked Questions

What is the IUPAC name of (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone?
The IUPAC name of (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone (CID 7454978) is (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone.
What is the SMILES notation for (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone?
The canonical SMILES for (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone is O=C(c1ccccc1Cl)N1N=C(c2ccccc2)C[C@@H]1c1ccccc1.
What is the InChIKey of (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone?
The InChIKey is SDMRJNRLYVABFY-OAQYLSRUSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-19-14-8-7-13-18(19)22(26)25-21(17-11-5-2-6-12-17)15-20(24-25)16-9-3-1-4-10-16/h1-14,21H,15H2/t21-/m1/s1.
What are the key properties of (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone?
(2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone 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 (2-chlorophenyl)-[(3R)-3,5-diphenyl-3,4-dihydropyrazol-2-yl]methanone is sourced from PubChem (CID 7454978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).