2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol

C22H17ClN2O — CID 135503180

IUPAC2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]nc(-c2ccccc2)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O/c23-17-12-10-15(11-13-17)14-19-21(16-6-2-1-3-7-16)24-25-22(19)18-8-4-5-9-20(18)26/h1-13,26H,14H2,(H,24,25)
InChIKeyJLKCGPDALGZATB-UHFFFAOYSA-N
MW360.84 g/mol
LogP5.69
Rot. Bonds4

About 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol

2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol (PubChem CID 135503180) has the molecular formula C22H17ClN2O and a molecular weight of 360.84 g/mol. Its IUPAC name is 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol.

Molecular Properties

Compound Name2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
PubChem CID135503180
Molecular FormulaC22H17ClN2O
Molecular Weight360.84 g/mol
Exact Mass360.10
IUPAC Name2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol
SMILESOc1ccccc1-c1[nH]nc(-c2ccccc2)c1Cc1ccc(Cl)cc1
InChIInChI=1S/C22H17ClN2O/c23-17-12-10-15(11-13-17)14-19-21(16-6-2-1-3-7-16)24-25-22(19)18-8-4-5-9-20(18)26/h1-13,26H,14H2,(H,24,25)
InChIKeyJLKCGPDALGZATB-UHFFFAOYSA-N
XLogP5.69
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500360.84
LogP ≤ 55.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
The IUPAC name of 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol (CID 135503180) is 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol.
What is the SMILES notation for 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
The canonical SMILES for 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol is Oc1ccccc1-c1[nH]nc(-c2ccccc2)c1Cc1ccc(Cl)cc1.
What is the InChIKey of 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
The InChIKey is JLKCGPDALGZATB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17ClN2O/c23-17-12-10-15(11-13-17)14-19-21(16-6-2-1-3-7-16)24-25-22(19)18-8-4-5-9-20(18)26/h1-13,26H,14H2,(H,24,25).
What are the key properties of 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol?
2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol has a molecular weight of 360.84 g/mol, XLogP of 5.69, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-chlorophenyl)methyl]-3-phenyl-1H-pyrazol-5-yl]phenol is sourced from PubChem (CID 135503180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).