3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol

C16H14N2O — CID 91248894

IUPAC3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
SMILESOc1cccc(Cc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C16H14N2O/c19-15-8-4-5-12(10-15)9-14-11-16(18-17-14)13-6-2-1-3-7-13/h1-8,10-11,19H,9H2,(H,17,18)
InChIKeyCNSIODSECDFMIS-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.37
Rot. Bonds3

About 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol

3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol (PubChem CID 91248894) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
PubChem CID91248894
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol
SMILESOc1cccc(Cc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C16H14N2O/c19-15-8-4-5-12(10-15)9-14-11-16(18-17-14)13-6-2-1-3-7-13/h1-8,10-11,19H,9H2,(H,17,18)
InChIKeyCNSIODSECDFMIS-UHFFFAOYSA-N
XLogP3.37
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

5-[(3-hydroxyphenyl)methyl]-1H-pyrazole-3-carboxylic acid
CID 115093007
5-benzyl-3-(3-fluorophenyl)-1H-pyrazole
CID 90699274
3-(3-methylphenyl)-5-[(3-methylphenyl)methyl]-1H-pyrazole
CID 71568660
5-(2-phenylethyl)-3-[3-[5-(2-phenylethyl)-1H-pyrazol-3-yl]phenyl]-1H-pyrazole
CID 118529456
5-benzyl-3-(3-nitrophenyl)-1H-pyrazole
CID 91385743
3-(5-benzyl-1H-pyrazol-3-yl)-1-propan-2-ylpyridin-1-ium bromide
CID 10155303
ethane;5-methyl-3-phenyl-1H-pyrazole
CID 144662756
5-benzyl-3-bromo-1H-pyrazole
CID 151400606
4-(3-phenyl-1H-pyrazol-5-yl)benzene-1,3-diol
CID 165349961
1-(3,4-dihydroxyphenyl)-2-(3-phenyl-1H-pyrazol-5-yl)ethanone
CID 70074401
2-(3-phenyl-1H-pyrazol-5-yl)benzene-1,4-diol
CID 137186634
N-[(3-phenyl-1H-pyrazol-5-yl)methyl]cyclopropanamine
CID 62111862

Frequently Asked Questions

What is the IUPAC name of 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
The IUPAC name of 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol (CID 91248894) is 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
The canonical SMILES for 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol is Oc1cccc(Cc2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
The InChIKey is CNSIODSECDFMIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c19-15-8-4-5-12(10-15)9-14-11-16(18-17-14)13-6-2-1-3-7-13/h1-8,10-11,19H,9H2,(H,17,18).
What are the key properties of 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol?
3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol has a molecular weight of 250.30 g/mol, XLogP of 3.37, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-phenyl-1H-pyrazol-5-yl)methyl]phenol is sourced from PubChem (CID 91248894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).