4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol

C17H16N2O2 — CID 127028170

IUPAC4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol
SMILESCOc1c(-c2ccc(O)cc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-16(13-8-10-15(20)11-9-13)17(21-2)19(18-12)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKeyLNWDWJGXPGHMTA-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.56
Rot. Bonds3

About 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol

4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol (PubChem CID 127028170) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol.

Molecular Properties

Compound Name4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol
PubChem CID127028170
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol
SMILESCOc1c(-c2ccc(O)cc2)c(C)nn1-c1ccccc1
InChIInChI=1S/C17H16N2O2/c1-12-16(13-8-10-15(20)11-9-13)17(21-2)19(18-12)14-6-4-3-5-7-14/h3-11,20H,1-2H3
InChIKeyLNWDWJGXPGHMTA-UHFFFAOYSA-N
XLogP3.56
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Propyl pyrazole triol
CID 5040063
Cnb-001
CID 135440402
[3-(4-methoxyphenyl)-1-phenyl-1H-pyrazol-4-yl]methanol
CID 882911
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
3-(4-methoxyphenyl)-1-phenyl-1H-pyrazole-4-carbaldehyde oxime
CID 6894322
6-Amino-4-(4-methoxyphenyl)-1,3-diphenyl-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 3528661
[4-(4-Methoxyphenyl)-1-phenylpyrazol-3-yl]methanol
CID 2512462
3-(1,5-diphenylpyrazol-3-yl)oxy-N,N-dimethylpropan-1-amine
CID 10314006
2-(4-Methoxyphenyl)-3-[1-(4-methoxyphenyl)-5-(4-methylphenyl)pyrazol-3-yl]propanoic acid
CID 10366068
1,5-Bis(4-methoxyphenyl)-3-(trifluoromethyl)-1H-pyrazole
CID 10569712
4-[(E)-2-[3-[(E)-2-(4-hydroxy-3-methoxyphenyl)ethenyl]-1-(4-methylphenyl)pyrazol-5-yl]ethenyl]-2-methoxyphenol
CID 136505155
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286

Frequently Asked Questions

What is the IUPAC name of 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol?
The IUPAC name of 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol (CID 127028170) is 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol.
What is the SMILES notation for 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol?
The canonical SMILES for 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol is COc1c(-c2ccc(O)cc2)c(C)nn1-c1ccccc1.
What is the InChIKey of 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol?
The InChIKey is LNWDWJGXPGHMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-16(13-8-10-15(20)11-9-13)17(21-2)19(18-12)14-6-4-3-5-7-14/h3-11,20H,1-2H3.
What are the key properties of 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol?
4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol has a molecular weight of 280.33 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methoxy-3-methyl-1-phenylpyrazol-4-yl)phenol is sourced from PubChem (CID 127028170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).