3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole

C21H17ClN2 — CID 70407425

IUPAC3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole
SMILESClc1cccc(C2C=C(c3ccccc3)NN2c2ccccc2)c1
InChIInChI=1S/C21H17ClN2/c22-18-11-7-10-17(14-18)21-15-20(16-8-3-1-4-9-16)23-24(21)19-12-5-2-6-13-19/h1-15,21,23H
InChIKeyATTBUNCYQQCJMF-UHFFFAOYSA-N
MW332.83 g/mol
LogP5.45
Rot. Bonds3

About 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole

3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole (PubChem CID 70407425) has the molecular formula C21H17ClN2 and a molecular weight of 332.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole.

Molecular Properties

Compound Name3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole
PubChem CID70407425
Molecular FormulaC21H17ClN2
Molecular Weight332.83 g/mol
Exact Mass332.11
IUPAC Name3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole
SMILESClc1cccc(C2C=C(c3ccccc3)NN2c2ccccc2)c1
InChIInChI=1S/C21H17ClN2/c22-18-11-7-10-17(14-18)21-15-20(16-8-3-1-4-9-16)23-24(21)19-12-5-2-6-13-19/h1-15,21,23H
InChIKeyATTBUNCYQQCJMF-UHFFFAOYSA-N
XLogP5.45
TPSA15.27 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.83
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole?
The IUPAC name of 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole (CID 70407425) is 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole.
What is the SMILES notation for 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole?
The canonical SMILES for 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole is Clc1cccc(C2C=C(c3ccccc3)NN2c2ccccc2)c1.
What is the InChIKey of 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole?
The InChIKey is ATTBUNCYQQCJMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN2/c22-18-11-7-10-17(14-18)21-15-20(16-8-3-1-4-9-16)23-24(21)19-12-5-2-6-13-19/h1-15,21,23H.
What are the key properties of 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole?
3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole has a molecular weight of 332.83 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-2,5-diphenyl-1,3-dihydropyrazole is sourced from PubChem (CID 70407425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).