5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile

C20H17N5 — CID 82220295

IUPAC5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
SMILESCc1cccc(-n2nc(C#N)cc2-c2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C20H17N5/c1-13-5-4-6-17(9-13)25-20(11-16(12-21)23-25)15-7-8-19-18(10-15)22-14(2)24(19)3/h4-11H,1-3H3
InChIKeyFQWFFSNTEBNZQE-UHFFFAOYSA-N
MW327.39 g/mol
LogP3.91
Rot. Bonds2

About 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile

5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile (PubChem CID 82220295) has the molecular formula C20H17N5 and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile.

Molecular Properties

Compound Name5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
PubChem CID82220295
Molecular FormulaC20H17N5
Molecular Weight327.39 g/mol
Exact Mass327.15
IUPAC Name5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile
SMILESCc1cccc(-n2nc(C#N)cc2-c2ccc3c(c2)nc(C)n3C)c1
InChIInChI=1S/C20H17N5/c1-13-5-4-6-17(9-13)25-20(11-16(12-21)23-25)15-7-8-19-18(10-15)22-14(2)24(19)3/h4-11H,1-3H3
InChIKeyFQWFFSNTEBNZQE-UHFFFAOYSA-N
XLogP3.91
TPSA59.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1,2-dimethylbenzimidazol-5-yl)-1-phenylpyrazole-3-carbonitrile
CID 94962125
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
1-(3-methylphenyl)-5-pyridin-2-ylpyrazole-3-carbonitrile
CID 82220283
5-(4-chloro-3-methylphenyl)-1-(3-chlorophenyl)pyrazole-3-carbonitrile
CID 82220158
5-(4-methylphenyl)-1-pyrimidin-2-ylpyrazole-3-carbonitrile
CID 39361106
1-(4-chlorophenyl)-5-(4-fluoro-3-methylphenyl)pyrazole-3-carbonitrile
CID 94962234
1-(3-methoxyphenyl)-5-(2,4,6-trimethylphenyl)pyrazole-3-carbonitrile
CID 94962126
4-amino-2-(1,2-dimethylbenzimidazol-5-yl)pyrimidine-5-carbonitrile
CID 116865150
5-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(4-methylphenyl)pyrazole-3-carbonitrile
CID 94962081
1-(4-methylphenyl)-5-(4-propylphenyl)pyrazole-3-carbonitrile
CID 82220313

Frequently Asked Questions

What is the IUPAC name of 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
The IUPAC name of 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile (CID 82220295) is 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile.
What is the SMILES notation for 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
The canonical SMILES for 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile is Cc1cccc(-n2nc(C#N)cc2-c2ccc3c(c2)nc(C)n3C)c1.
What is the InChIKey of 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
The InChIKey is FQWFFSNTEBNZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5/c1-13-5-4-6-17(9-13)25-20(11-16(12-21)23-25)15-7-8-19-18(10-15)22-14(2)24(19)3/h4-11H,1-3H3.
What are the key properties of 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile?
5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile has a molecular weight of 327.39 g/mol, XLogP of 3.91, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2-dimethylbenzimidazol-5-yl)-1-(3-methylphenyl)pyrazole-3-carbonitrile is sourced from PubChem (CID 82220295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).