[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol

C22H18N2O2 — CID 7245329

IUPAC[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-16-18-15-24(19-7-3-1-4-8-19)23-22(18)17-11-13-21(14-12-17)26-20-9-5-2-6-10-20/h1-15,25H,16H2
InChIKeyLJUHMGNPIFTBPE-UHFFFAOYSA-N
MW342.40 g/mol
LogP4.82
Rot. Bonds5

About [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol

[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 7245329) has the molecular formula C22H18N2O2 and a molecular weight of 342.40 g/mol. Its IUPAC name is [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID7245329
Molecular FormulaC22H18N2O2
Molecular Weight342.40 g/mol
Exact Mass342.14
IUPAC Name[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESOCc1cn(-c2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H18N2O2/c25-16-18-15-24(19-7-3-1-4-8-19)23-22(18)17-11-13-21(14-12-17)26-20-9-5-2-6-10-20/h1-15,25H,16H2
InChIKeyLJUHMGNPIFTBPE-UHFFFAOYSA-N
XLogP4.82
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3,4-dimethoxyphenyl)-1-phenylpyrazol-4-yl]methanol
CID 883556
[3-(4-cyclohexylphenyl)-1-phenylpyrazol-4-yl]methanol
CID 1474502
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
[1-(4-chlorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methanol
CID 3799605
[1-phenyl-3-(5,6,7,8-tetrahydronaphthalen-2-yl)pyrazol-4-yl]methanol
CID 20542793
2-[4-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]piperazin-1-yl]ethanol
CID 46809748
[1-(4-chlorophenyl)-3-(4-methylphenyl)pyrazol-4-yl]methanol
CID 3820549
4-[4-[(4-phenoxyanilino)methyl]-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]benzoic acid
CID 165416012
CID 67048003
CID 67048003
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
[3-(4-bromophenyl)-1-(3-methylphenyl)pyrazol-4-yl]methanol
CID 4995785
2-(3-naphthalen-2-yl-1-phenylpyrazol-4-yl)acetic acid
CID 20542687

Frequently Asked Questions

What is the IUPAC name of [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol (CID 7245329) is [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol is OCc1cn(-c2ccccc2)nc1-c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is LJUHMGNPIFTBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O2/c25-16-18-15-24(19-7-3-1-4-8-19)23-22(18)17-11-13-21(14-12-17)26-20-9-5-2-6-10-20/h1-15,25H,16H2.
What are the key properties of [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 342.40 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-phenoxyphenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 7245329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).