3-(4-chlorophenyl)-1-phenylpyrazole

C15H11ClN2 — CID 620342

IUPAC3-(4-chlorophenyl)-1-phenylpyrazole
SMILESClc1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-11-18(17-15)14-4-2-1-3-5-14/h1-11H
InChIKeyXASCFVXXKMGKOZ-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.19
Rot. Bonds2

About 3-(4-chlorophenyl)-1-phenylpyrazole

3-(4-chlorophenyl)-1-phenylpyrazole (PubChem CID 620342) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-phenylpyrazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-phenylpyrazole
PubChem CID620342
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name3-(4-chlorophenyl)-1-phenylpyrazole
SMILESClc1ccc(-c2ccn(-c3ccccc3)n2)cc1
InChIInChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-11-18(17-15)14-4-2-1-3-5-14/h1-11H
InChIKeyXASCFVXXKMGKOZ-UHFFFAOYSA-N
XLogP4.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-phenylpyrazole?
The IUPAC name of 3-(4-chlorophenyl)-1-phenylpyrazole (CID 620342) is 3-(4-chlorophenyl)-1-phenylpyrazole.
What is the SMILES notation for 3-(4-chlorophenyl)-1-phenylpyrazole?
The canonical SMILES for 3-(4-chlorophenyl)-1-phenylpyrazole is Clc1ccc(-c2ccn(-c3ccccc3)n2)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-phenylpyrazole?
The InChIKey is XASCFVXXKMGKOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-11-18(17-15)14-4-2-1-3-5-14/h1-11H.
What are the key properties of 3-(4-chlorophenyl)-1-phenylpyrazole?
3-(4-chlorophenyl)-1-phenylpyrazole has a molecular weight of 254.72 g/mol, XLogP of 4.19, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-phenylpyrazole is sourced from PubChem (CID 620342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).