1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile

C16H12N4 — CID 82220283

IUPAC1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
SMILESCc1cccc(-n2nc(C#N)cc2-c2ccccn2)c1
InChIInChI=1S/C16H12N4/c1-12-5-4-6-14(9-12)20-16(10-13(11-17)19-20)15-7-2-3-8-18-15/h2-10H,1H3
InChIKeyXLCLJBFLRFGRRN-UHFFFAOYSA-N
MW260.30 g/mol
LogP3.11
Rot. Bonds2

About 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile

1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile (PubChem CID 82220283) has the molecular formula C16H12N4 and a molecular weight of 260.30 g/mol. Its IUPAC name is 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile.

Molecular Properties

Compound Name1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
PubChem CID82220283
Molecular FormulaC16H12N4
Molecular Weight260.30 g/mol
Exact Mass260.11
IUPAC Name1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
SMILESCc1cccc(-n2nc(C#N)cc2-c2ccccn2)c1
InChIInChI=1S/C16H12N4/c1-12-5-4-6-14(9-12)20-16(10-13(11-17)19-20)15-7-2-3-8-18-15/h2-10H,1H3
InChIKeyXLCLJBFLRFGRRN-UHFFFAOYSA-N
XLogP3.11
TPSA54.50 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220284
5-pyridin-2-yl-1-quinolin-8-ylpyrazole-3-carbonitrile
CID 82220280
5-(4-tert-butylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 94962087
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220131
1-(3-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carbonitrile
CID 94962258
5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220295
5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
CID 39361106
1-(3-methylphenyl)-3-pyridin-2-ylpyrazole-5-carboxylic acid
CID 82370949
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
2-(1,4-dimethylpyrrol-2-yl)pyridine;ethane
CID 143140664
4-methyl-2-pyridin-2-ylpyridine
CID 11019291
4-methyl-2-(4-methyl-2-pyridinyl)pyridine;2-pyridin-2-ylpyridine
CID 158258168

Frequently Asked Questions

What is the IUPAC name of 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
The IUPAC name of 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile (CID 82220283) is 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile.
What is the SMILES notation for 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
The canonical SMILES for 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile is Cc1cccc(-n2nc(C#N)cc2-c2ccccn2)c1.
What is the InChIKey of 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
The InChIKey is XLCLJBFLRFGRRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4/c1-12-5-4-6-14(9-12)20-16(10-13(11-17)19-20)15-7-2-3-8-18-15/h2-10H,1H3.
What are the key properties of 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile?
1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile has a molecular weight of 260.30 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile is sourced from PubChem (CID 82220283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).