5-(4-chlorophenyl)-3-phenyl-1H-pyrazole

C15H11ClN2 — CID 869251

IUPAC5-(4-chlorophenyl)-3-phenyl-1H-pyrazole
SMILESClc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
InChIKeyWLPDBGOPQLWLLN-UHFFFAOYSA-N
MW254.72 g/mol
LogP4.40
Rot. Bonds2

About 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole

5-(4-chlorophenyl)-3-phenyl-1H-pyrazole (PubChem CID 869251) has the molecular formula C15H11ClN2 and a molecular weight of 254.72 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-phenyl-1H-pyrazole
PubChem CID869251
Molecular FormulaC15H11ClN2
Molecular Weight254.72 g/mol
Exact Mass254.06
IUPAC Name5-(4-chlorophenyl)-3-phenyl-1H-pyrazole
SMILESClc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18)
InChIKeyWLPDBGOPQLWLLN-UHFFFAOYSA-N
XLogP4.40
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.72
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole?
The IUPAC name of 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole (CID 869251) is 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole is Clc1ccc(-c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole?
The InChIKey is WLPDBGOPQLWLLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClN2/c16-13-8-6-12(7-9-13)15-10-14(17-18-15)11-4-2-1-3-5-11/h1-10H,(H,17,18).
What are the key properties of 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole?
5-(4-chlorophenyl)-3-phenyl-1H-pyrazole has a molecular weight of 254.72 g/mol, XLogP of 4.40, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-3-phenyl-1H-pyrazole is sourced from PubChem (CID 869251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).