3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole

C22H19ClN2 — CID 101339035

IUPAC3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(c3ccccc3)C(c3ccccc3Cl)C2)c1
InChIInChI=1S/C22H19ClN2/c1-16-8-7-9-17(14-16)21-15-22(19-12-5-6-13-20(19)23)25(24-21)18-10-3-2-4-11-18/h2-14,22H,15H2,1H3
InChIKeyAZZQSKCNZBPISA-UHFFFAOYSA-N
MW346.86 g/mol
LogP6.00
Rot. Bonds3

About 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole

3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 101339035) has the molecular formula C22H19ClN2 and a molecular weight of 346.86 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID101339035
Molecular FormulaC22H19ClN2
Molecular Weight346.86 g/mol
Exact Mass346.12
IUPAC Name3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
SMILESCc1cccc(C2=NN(c3ccccc3)C(c3ccccc3Cl)C2)c1
InChIInChI=1S/C22H19ClN2/c1-16-8-7-9-17(14-16)21-15-22(19-12-5-6-13-20(19)23)25(24-21)18-10-3-2-4-11-18/h2-14,22H,15H2,1H3
InChIKeyAZZQSKCNZBPISA-UHFFFAOYSA-N
XLogP6.00
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500346.86
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromophenyl)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-3,4-dihydropyrazole
CID 3142858
1-[2-[3-(2-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-4-carboxamide
CID 42844789
3-(2-methoxyphenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 3714148
(3S)-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 7065390
2-(4-chlorophenyl)-3-(2-fluorophenyl)-5-phenyl-3,4-dihydropyrazole
CID 3142841
5-(4-methoxyphenyl)-3-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole
CID 11175276
5-(2,6-dichlorophenyl)-2,3-diphenyl-3,4-dihydropyrazole
CID 170722101
6-chloro-2-[3-(2-chlorophenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-phenylquinazoline
CID 3448032
ethyl (3S)-1-[2-[(3S)-3-(2-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylate
CID 93228485
ethyl (3R)-1-[2-[(3S)-3-(2-chlorophenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]-2-oxoethyl]piperidine-3-carboxylate
CID 93228484
(3S)-3-(2-chlorophenyl)-5-(4-chlorophenyl)-2-(2-fluorophenyl)-3,4-dihydropyrazole
CID 7720074
4-[3-(4-methoxyphenyl)-5-(3-methylphenyl)-3,4-dihydropyrazol-2-yl]benzoic acid
CID 164612211

Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole (CID 101339035) is 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole is Cc1cccc(C2=NN(c3ccccc3)C(c3ccccc3Cl)C2)c1.
What is the InChIKey of 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is AZZQSKCNZBPISA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2/c1-16-8-7-9-17(14-16)21-15-22(19-12-5-6-13-20(19)23)25(24-21)18-10-3-2-4-11-18/h2-14,22H,15H2,1H3.
What are the key properties of 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole?
3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 346.86 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-5-(3-methylphenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 101339035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).