2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol

C22H17ClN2O — CID 1256491

IUPAC2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O/c23-18-12-10-16(11-13-18)15-25-21(19-8-4-5-9-22(19)26)14-20(24-25)17-6-2-1-3-7-17/h1-14,26H,15H2
InChIKeyLFAMDCGXSXIDSA-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.62
Rot. Bonds4

About 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol

2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol (PubChem CID 1256491) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol
PubChem CID1256491
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol
SMILESOc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O/c23-18-12-10-16(11-13-18)15-25-21(19-8-4-5-9-22(19)26)14-20(24-25)17-6-2-1-3-7-17/h1-14,26H,15H2
InChIKeyLFAMDCGXSXIDSA-UHFFFAOYSA-N
XLogP5.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
The IUPAC name of 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol (CID 1256491) is 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol.
What is the SMILES notation for 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
The canonical SMILES for 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol is Oc1ccccc1-c1cc(-c2ccccc2)nn1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
The InChIKey is LFAMDCGXSXIDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-18-12-10-16(11-13-18)15-25-21(19-8-4-5-9-22(19)26)14-20(24-25)17-6-2-1-3-7-17/h1-14,26H,15H2.
What are the key properties of 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol?
2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol has a molecular weight of 360.84 g/mol, XLogP of 5.62, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(4-chlorophenyl)methyl]-3-phenylpyrazol-5-yl]phenol is sourced from PubChem (CID 1256491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).