2-(1-methyl-3-phenylpyrazol-5-yl)phenol

C16H14N2O — CID 137043649

IUPAC2-(1-methyl-3-phenylpyrazol-5-yl)phenol
SMILESCn1nc(-c2ccccc2)cc1-c1ccccc1O
InChIInChI=1S/C16H14N2O/c1-18-15(13-9-5-6-10-16(13)19)11-14(17-18)12-7-3-2-4-8-12/h2-11,19H,1H3
InChIKeyWABHYZHSWVUPPK-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.46
Rot. Bonds2

About 2-(1-methyl-3-phenylpyrazol-5-yl)phenol

2-(1-methyl-3-phenylpyrazol-5-yl)phenol (PubChem CID 137043649) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2-(1-methyl-3-phenylpyrazol-5-yl)phenol.

Molecular Properties

Compound Name2-(1-methyl-3-phenylpyrazol-5-yl)phenol
PubChem CID137043649
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2-(1-methyl-3-phenylpyrazol-5-yl)phenol
SMILESCn1nc(-c2ccccc2)cc1-c1ccccc1O
InChIInChI=1S/C16H14N2O/c1-18-15(13-9-5-6-10-16(13)19)11-14(17-18)12-7-3-2-4-8-12/h2-11,19H,1H3
InChIKeyWABHYZHSWVUPPK-UHFFFAOYSA-N
XLogP3.46
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

Propyl pyrazole triol
CID 5040063
Vrt-532
CID 781239
Phenol, 4-(7-methyl-1-propyl-1H-indazol-3-yl)-
CID 135511848
2-[2-(Dimethylamino)ethyl]-4-(1,3,5-trimethylpyrazol-4-yl)phenol
CID 25192947
2-(3,5-Dimethyl-1-phenylpyrazol-4-yl)phenol
CID 832558
2-(5-phenyl-1H-pyrazol-3-yl)phenol
CID 781202
2-[5-(2-methylphenyl)-1H-pyrazol-3-yl]phenol
CID 775981
4-(5-(2,5-dimethylphenyl)-1-methyl-1H-pyrazol-3-yl)phenol
CID 135546507
4-[(3,5-dimethyl-1-phenyl-1H-pyrazol-4-yl)methyl]benzenol
CID 1478286
Methyl 2-[3-(2-hydroxyphenyl)indazol-1-yl]acetate
CID 136236953
4-(1-methyl-6-hydroxy-1H-indazol-3-yl)benzene-1,3-diol
CID 135454762
2-[1-(4-methoxybenzyl)-3-phenyl-1H-pyrazol-5-yl]phenol
CID 1038912

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-3-phenylpyrazol-5-yl)phenol?
The IUPAC name of 2-(1-methyl-3-phenylpyrazol-5-yl)phenol (CID 137043649) is 2-(1-methyl-3-phenylpyrazol-5-yl)phenol.
What is the SMILES notation for 2-(1-methyl-3-phenylpyrazol-5-yl)phenol?
The canonical SMILES for 2-(1-methyl-3-phenylpyrazol-5-yl)phenol is Cn1nc(-c2ccccc2)cc1-c1ccccc1O.
What is the InChIKey of 2-(1-methyl-3-phenylpyrazol-5-yl)phenol?
The InChIKey is WABHYZHSWVUPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-18-15(13-9-5-6-10-16(13)19)11-14(17-18)12-7-3-2-4-8-12/h2-11,19H,1H3.
What are the key properties of 2-(1-methyl-3-phenylpyrazol-5-yl)phenol?
2-(1-methyl-3-phenylpyrazol-5-yl)phenol has a molecular weight of 250.30 g/mol, XLogP of 3.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-3-phenylpyrazol-5-yl)phenol is sourced from PubChem (CID 137043649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).