4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol

C17H16N2O — CID 23402776

IUPAC4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol
SMILESCc1cn(-c2ccccc2)nc1Cc1ccc(O)cc1
InChIInChI=1S/C17H16N2O/c1-13-12-19(15-5-3-2-4-6-15)18-17(13)11-14-7-9-16(20)10-8-14/h2-10,12,20H,11H2,1H3
InChIKeyOIEOOEWKGMLXHK-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.48
Rot. Bonds3

About 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol

4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol (PubChem CID 23402776) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol
PubChem CID23402776
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol
SMILESCc1cn(-c2ccccc2)nc1Cc1ccc(O)cc1
InChIInChI=1S/C17H16N2O/c1-13-12-19(15-5-3-2-4-6-15)18-17(13)11-14-7-9-16(20)10-8-14/h2-10,12,20H,11H2,1H3
InChIKeyOIEOOEWKGMLXHK-UHFFFAOYSA-N
XLogP3.48
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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1-(4-chloro-1-phenylpyrazol-3-yl)-N-methylmethanamine
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4-[[2-amino-3-methyl-5-[(4-methylphenyl)methyl]imidazol-4-yl]methyl]phenol
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4-[5-benzyl-4-(hydroxymethyl)triazol-1-yl]phenol
CID 82194898
2-[4-(4-methyl-1-phenylpyrazol-3-yl)pyrazol-1-yl]ethanol
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2-methyl-4-(4-methyl-1-phenylpyrazol-3-yl)triazole
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Frequently Asked Questions

What is the IUPAC name of 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol?
The IUPAC name of 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol (CID 23402776) is 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol?
The canonical SMILES for 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol is Cc1cn(-c2ccccc2)nc1Cc1ccc(O)cc1.
What is the InChIKey of 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol?
The InChIKey is OIEOOEWKGMLXHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-13-12-19(15-5-3-2-4-6-15)18-17(13)11-14-7-9-16(20)10-8-14/h2-10,12,20H,11H2,1H3.
What are the key properties of 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol?
4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol has a molecular weight of 264.33 g/mol, XLogP of 3.48, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methyl-1-phenylpyrazol-3-yl)methyl]phenol is sourced from PubChem (CID 23402776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).