6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile

C20H14N6O — CID 71166878

IUPAC6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(O)cc(-c2nn(-c3ccc(C#N)cn3)cc2-c2ccncn2)c1
InChIInChI=1S/C20H14N6O/c1-13-6-15(8-16(27)7-13)20-17(18-4-5-22-12-24-18)11-26(25-20)19-3-2-14(9-21)10-23-19/h2-8,10-12,27H,1H3
InChIKeyNWSKLNVDVRNSAE-UHFFFAOYSA-N
MW354.37 g/mol
LogP3.28
Rot. Bonds3

About 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile

6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile (PubChem CID 71166878) has the molecular formula C20H14N6O and a molecular weight of 354.37 g/mol. Its IUPAC name is 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile.

Molecular Properties

Compound Name6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile
PubChem CID71166878
Molecular FormulaC20H14N6O
Molecular Weight354.37 g/mol
Exact Mass354.12
IUPAC Name6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile
SMILESCc1cc(O)cc(-c2nn(-c3ccc(C#N)cn3)cc2-c2ccncn2)c1
InChIInChI=1S/C20H14N6O/c1-13-6-15(8-16(27)7-13)20-17(18-4-5-22-12-24-18)11-26(25-20)19-3-2-14(9-21)10-23-19/h2-8,10-12,27H,1H3
InChIKeyNWSKLNVDVRNSAE-UHFFFAOYSA-N
XLogP3.28
TPSA100.51 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.37
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]acetamide
CID 71166874
2-[3-(3-hydroxy-5-methylphenyl)-4-(2-phenyl-4-pyridinyl)pyrazol-1-yl]acetonitrile
CID 45482646
2-propan-2-yl-5-(1-propan-2-yl-4-pyrimidin-4-ylpyrazol-3-yl)phenol
CID 71166815
3-chloro-5-pyrimidin-4-ylbenzonitrile
CID 175694056
4-amino-1-(5-cyano-2-pyridinyl)pyrazole-3-carboxamide
CID 107346504
3-(3-hydroxy-5-methylphenyl)benzonitrile
CID 53218798
N,N-dimethyl-2-[3-(4-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]ethanamine
CID 141081122
1-(5-cyano-2-pyridinyl)-1,2,4-triazole-3-carboxylic acid
CID 175302065
1,3-dimethyl-5-pyrimidin-4-ylindole-7-carbonitrile
CID 153487622
6-(2-methylimidazol-1-yl)pyridine-3-carbonitrile
CID 24701707
N-[2-[4-[1-(cyanomethyl)-3-(3-hydroxy-5-methylphenyl)pyrazol-4-yl]-2-pyridinyl]phenyl]acetamide
CID 45482669
2,5-dimethyl-4-pyrimidin-4-ylphenol
CID 136929191

Frequently Asked Questions

What is the IUPAC name of 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile?
The IUPAC name of 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile (CID 71166878) is 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile.
What is the SMILES notation for 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile?
The canonical SMILES for 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile is Cc1cc(O)cc(-c2nn(-c3ccc(C#N)cn3)cc2-c2ccncn2)c1.
What is the InChIKey of 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile?
The InChIKey is NWSKLNVDVRNSAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14N6O/c1-13-6-15(8-16(27)7-13)20-17(18-4-5-22-12-24-18)11-26(25-20)19-3-2-14(9-21)10-23-19/h2-8,10-12,27H,1H3.
What are the key properties of 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile?
6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile has a molecular weight of 354.37 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(3-hydroxy-5-methylphenyl)-4-pyrimidin-4-ylpyrazol-1-yl]pyridine-3-carbonitrile is sourced from PubChem (CID 71166878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).