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

C15H13ClN2 — CID 620572

IUPAC5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-11-18(17-15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyGKZCWFUPZLSXQG-UHFFFAOYSA-N
MW256.74 g/mol
LogP3.95
Rot. Bonds2

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

5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole (PubChem CID 620572) has the molecular formula C15H13ClN2 and a molecular weight of 256.74 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
PubChem CID620572
Molecular FormulaC15H13ClN2
Molecular Weight256.74 g/mol
Exact Mass256.08
IUPAC Name5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole
SMILESClc1ccc(C2=NN(c3ccccc3)CC2)cc1
InChIInChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-11-18(17-15)14-4-2-1-3-5-14/h1-9H,10-11H2
InChIKeyGKZCWFUPZLSXQG-UHFFFAOYSA-N
XLogP3.95
TPSA15.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.74
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The IUPAC name of 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole (CID 620572) is 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole is Clc1ccc(C2=NN(c3ccccc3)CC2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
The InChIKey is GKZCWFUPZLSXQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN2/c16-13-8-6-12(7-9-13)15-10-11-18(17-15)14-4-2-1-3-5-14/h1-9H,10-11H2.
What are the key properties of 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole?
5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole has a molecular weight of 256.74 g/mol, XLogP of 3.95, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-phenyl-3,4-dihydropyrazole is sourced from PubChem (CID 620572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).