3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile

C11H9N3O — CID 135858163

IUPAC3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1cc(C#N)c(-c2ccccc2O)n1
InChIInChI=1S/C11H9N3O/c1-14-7-8(6-12)11(13-14)9-4-2-3-5-10(9)15/h2-5,7,15H,1H3
InChIKeyGTEHROAVEOLZDV-UHFFFAOYSA-N
MW199.21 g/mol
LogP1.66
Rot. Bonds1

About 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile

3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile (PubChem CID 135858163) has the molecular formula C11H9N3O and a molecular weight of 199.21 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile
PubChem CID135858163
Molecular FormulaC11H9N3O
Molecular Weight199.21 g/mol
Exact Mass199.07
IUPAC Name3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile
SMILESCn1cc(C#N)c(-c2ccccc2O)n1
InChIInChI=1S/C11H9N3O/c1-14-7-8(6-12)11(13-14)9-4-2-3-5-10(9)15/h2-5,7,15H,1H3
InChIKeyGTEHROAVEOLZDV-UHFFFAOYSA-N
XLogP1.66
TPSA61.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[2-(4-aminophenyl)ethynyl]-1-methylpyrazol-3-yl]phenol
CID 135508020
3-(2,4-dichlorophenyl)-1-methylpyrazole-4-carbonitrile
CID 15116022
2-[4-(methoxymethyl)-1-methylpyrazol-3-yl]phenol
CID 136603783
3-(4-bromophenyl)-1-methylpyrazole-4-carbonitrile
CID 39096288
3-[4-(hydroxymethyl)phenyl]-1-methylpyrazole-4-carbonitrile
CID 168841681
2-[3,5-difluoro-6-(2-hydroxyphenyl)pyrazin-2-yl]phenol
CID 140692175
3-(2,5-dihydropyrrol-1-yl)-1-methylpyrazole-4-carbonitrile
CID 104593302
1-hydroxy-3-phenylpyrazole-4-carbonitrile
CID 10058227
4-bromo-2-[4-(2-cyclopropylethynyl)-1-methylpyrazol-3-yl]phenol
CID 135445984
3-hydroxy-2-[2-hydroxy-6-(2-hydroxyphenyl)phenyl]benzonitrile
CID 141134076
3-[3-chloro-4-(methylamino)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1-methylpyrazole-4-carbonitrile
CID 146565218
4-[3-(2-hydroxyphenyl)-1-methyl-5-phenylpyrazol-4-yl]butanenitrile
CID 136603806

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile?
The IUPAC name of 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile (CID 135858163) is 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile.
What is the SMILES notation for 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile?
The canonical SMILES for 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile is Cn1cc(C#N)c(-c2ccccc2O)n1.
What is the InChIKey of 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile?
The InChIKey is GTEHROAVEOLZDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3O/c1-14-7-8(6-12)11(13-14)9-4-2-3-5-10(9)15/h2-5,7,15H,1H3.
What are the key properties of 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile?
3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile has a molecular weight of 199.21 g/mol, XLogP of 1.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-1-methylpyrazole-4-carbonitrile is sourced from PubChem (CID 135858163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).