[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol

C18H18N2O — CID 976857

IUPAC[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1C
InChIInChI=1S/C18H18N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-11,21H,12H2,1-2H3
InChIKeyHZIUFCSZDOXXEO-UHFFFAOYSA-N
MW278.35 g/mol
LogP3.65
Rot. Bonds3

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

[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol (PubChem CID 976857) has the molecular formula C18H18N2O and a molecular weight of 278.35 g/mol. Its IUPAC name is [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol.

Molecular Properties

Compound Name[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol
PubChem CID976857
Molecular FormulaC18H18N2O
Molecular Weight278.35 g/mol
Exact Mass278.14
IUPAC Name[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol
SMILESCc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1C
InChIInChI=1S/C18H18N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-11,21H,12H2,1-2H3
InChIKeyHZIUFCSZDOXXEO-UHFFFAOYSA-N
XLogP3.65
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.35
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol?
The IUPAC name of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol (CID 976857) is [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol.
What is the SMILES notation for [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol?
The canonical SMILES for [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol is Cc1ccc(-c2nn(-c3ccccc3)cc2CO)cc1C.
What is the InChIKey of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol?
The InChIKey is HZIUFCSZDOXXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O/c1-13-8-9-15(10-14(13)2)18-16(12-21)11-20(19-18)17-6-4-3-5-7-17/h3-11,21H,12H2,1-2H3.
What are the key properties of [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol?
[3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol has a molecular weight of 278.35 g/mol, XLogP of 3.65, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(3,4-dimethylphenyl)-1-phenylpyrazol-4-yl]methanol is sourced from PubChem (CID 976857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).