2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol

C17H16N2O — CID 832558

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccccc1O
InChIInChI=1S/C17H16N2O/c1-12-17(15-10-6-7-11-16(15)20)13(2)19(18-12)14-8-4-3-5-9-14/h3-11,20H,1-2H3
InChIKeyXUMKJXMWSPNMSW-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.86
Rot. Bonds2

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol (PubChem CID 832558) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol
PubChem CID832558
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol
SMILESCc1nn(-c2ccccc2)c(C)c1-c1ccccc1O
InChIInChI=1S/C17H16N2O/c1-12-17(15-10-6-7-11-16(15)20)13(2)19(18-12)14-8-4-3-5-9-14/h3-11,20H,1-2H3
InChIKeyXUMKJXMWSPNMSW-UHFFFAOYSA-N
XLogP3.86
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
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4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
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4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
2-(3,5-dimethyl-1H-pyrazol-1-yl)-5-methylphenol
CID 60143882
4-[(5S)-1-(4-fluorophenyl)spiro[4H-indazole-5,6'-cyclohexene]-1'-yl]phenol
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2-(1-benzyl-3-phenyl-1H-pyrazol-5-yl)phenol
CID 2380220
Phenol, 4,4',4''-(4-ethyl-1H-pyrazole-1,3,5-triyl)tris-
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4-Methyl-6-(2-phenyl-1,2-dihydro-3H-pyrazol-3-ylidene)cyclohexa-2,4-dien-1-one
CID 353508
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CID 972477

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol (CID 832558) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol is Cc1nn(-c2ccccc2)c(C)c1-c1ccccc1O.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol?
The InChIKey is XUMKJXMWSPNMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-12-17(15-10-6-7-11-16(15)20)13(2)19(18-12)14-8-4-3-5-9-14/h3-11,20H,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol has a molecular weight of 264.33 g/mol, XLogP of 3.86, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)phenol is sourced from PubChem (CID 832558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).