5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile

C19H17N3 — CID 82220131

IUPAC5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)nn2-c2cccc(C)c2)cc1
InChIInChI=1S/C19H17N3/c1-3-15-7-9-16(10-8-15)19-12-17(13-20)21-22(19)18-6-4-5-14(2)11-18/h4-12H,3H2,1-2H3
InChIKeySIOXOZUBUSIVQB-UHFFFAOYSA-N
MW287.37 g/mol
LogP4.28
Rot. Bonds3

About 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile

5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile (PubChem CID 82220131) has the molecular formula C19H17N3 and a molecular weight of 287.37 g/mol. Its IUPAC name is 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
PubChem CID82220131
Molecular FormulaC19H17N3
Molecular Weight287.37 g/mol
Exact Mass287.14
IUPAC Name5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
SMILESCCc1ccc(-c2cc(C#N)nn2-c2cccc(C)c2)cc1
InChIInChI=1S/C19H17N3/c1-3-15-7-9-16(10-8-15)19-12-17(13-20)21-22(19)18-6-4-5-14(2)11-18/h4-12H,3H2,1-2H3
InChIKeySIOXOZUBUSIVQB-UHFFFAOYSA-N
XLogP4.28
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-methylphenyl)-5-[4-(2-methylpropyl)phenyl]pyrazole-3-carbonitrile
CID 94962258
5-(4-tert-butylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 94962087
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313
5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
CID 82220295
1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220283
5-[4-(2-methylpropyl)phenyl]-1-phenylpyrazole-3-carbonitrile
CID 82220312
5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
CID 39361106
1-(3-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carboxylic acid
CID 94962316
5-(4-methylphenyl)-1-[4-(2-oxoethylamino)phenyl]pyrazole-3-carbonitrile
CID 19886221
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
1-ethyl-4-(3-methylphenyl)benzene
CID 12641077
5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
CID 94962125

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile (CID 82220131) is 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile is CCc1ccc(-c2cc(C#N)nn2-c2cccc(C)c2)cc1.
What is the InChIKey of 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
The InChIKey is SIOXOZUBUSIVQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3/c1-3-15-7-9-16(10-8-15)19-12-17(13-20)21-22(19)18-6-4-5-14(2)11-18/h4-12H,3H2,1-2H3.
What are the key properties of 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile has a molecular weight of 287.37 g/mol, XLogP of 4.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylphenyl)-1-(3-methylphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 82220131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).