[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol

C22H16ClFN2O — CID 56689253

IUPAC[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccc(F)cc1)c1[nH]ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClFN2O/c23-18-10-6-15(7-11-18)20-14-25-26-21(20)22(27,16-4-2-1-3-5-16)17-8-12-19(24)13-9-17/h1-14,27H,(H,25,26)
InChIKeyLGCPQPDGPJGIIK-UHFFFAOYSA-N
MW378.83 g/mol
LogP5.15
Rot. Bonds4

About [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol

[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol (PubChem CID 56689253) has the molecular formula C22H16ClFN2O and a molecular weight of 378.83 g/mol. Its IUPAC name is [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol.

Molecular Properties

Compound Name[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol
PubChem CID56689253
Molecular FormulaC22H16ClFN2O
Molecular Weight378.83 g/mol
Exact Mass378.09
IUPAC Name[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol
SMILESOC(c1ccccc1)(c1ccc(F)cc1)c1[nH]ncc1-c1ccc(Cl)cc1
InChIInChI=1S/C22H16ClFN2O/c23-18-10-6-15(7-11-18)20-14-25-26-21(20)22(27,16-4-2-1-3-5-16)17-8-12-19(24)13-9-17/h1-14,27H,(H,25,26)
InChIKeyLGCPQPDGPJGIIK-UHFFFAOYSA-N
XLogP5.15
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.83
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol 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 [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol?
The IUPAC name of [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol (CID 56689253) is [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol.
What is the SMILES notation for [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol?
The canonical SMILES for [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol is OC(c1ccccc1)(c1ccc(F)cc1)c1[nH]ncc1-c1ccc(Cl)cc1.
What is the InChIKey of [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol?
The InChIKey is LGCPQPDGPJGIIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClFN2O/c23-18-10-6-15(7-11-18)20-14-25-26-21(20)22(27,16-4-2-1-3-5-16)17-8-12-19(24)13-9-17/h1-14,27H,(H,25,26).
What are the key properties of [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol?
[4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol has a molecular weight of 378.83 g/mol, XLogP of 5.15, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(4-chlorophenyl)-1H-pyrazol-5-yl]-(4-fluorophenyl)-phenylmethanol is sourced from PubChem (CID 56689253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).