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

C23H21ClN2 — CID 43835715

IUPAC2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccc(C)c(Cl)c3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H21ClN2/c1-16-8-11-18(12-9-16)22-15-23(19-6-4-3-5-7-19)26(25-22)20-13-10-17(2)21(24)14-20/h3-14,23H,15H2,1-2H3
InChIKeyYZOSLKKJBHDDKE-UHFFFAOYSA-N
MW360.89 g/mol
LogP6.31
Rot. Bonds3

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

2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole (PubChem CID 43835715) has the molecular formula C23H21ClN2 and a molecular weight of 360.89 g/mol. Its IUPAC name is 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
PubChem CID43835715
Molecular FormulaC23H21ClN2
Molecular Weight360.89 g/mol
Exact Mass360.14
IUPAC Name2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole
SMILESCc1ccc(C2=NN(c3ccc(C)c(Cl)c3)C(c3ccccc3)C2)cc1
InChIInChI=1S/C23H21ClN2/c1-16-8-11-18(12-9-16)22-15-23(19-6-4-3-5-7-19)26(25-22)20-13-10-17(2)21(24)14-20/h3-14,23H,15H2,1-2H3
InChIKeyYZOSLKKJBHDDKE-UHFFFAOYSA-N
XLogP6.31
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.89
LogP ≤ 56.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
The IUPAC name of 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole (CID 43835715) is 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole is Cc1ccc(C2=NN(c3ccc(C)c(Cl)c3)C(c3ccccc3)C2)cc1.
What is the InChIKey of 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
The InChIKey is YZOSLKKJBHDDKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN2/c1-16-8-11-18(12-9-16)22-15-23(19-6-4-3-5-7-19)26(25-22)20-13-10-17(2)21(24)14-20/h3-14,23H,15H2,1-2H3.
What are the key properties of 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole?
2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole has a molecular weight of 360.89 g/mol, XLogP of 6.31, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methylphenyl)-5-(4-methylphenyl)-3-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 43835715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).