4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile

C19H18N8 — CID 91827353

IUPAC4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile
SMILESCc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)nn1
InChIInChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3
InChIKeyYPRKVQKJNRKXFN-UHFFFAOYSA-N
MW358.41 g/mol
LogP2.42
Rot. Bonds5

About 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile

4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile (PubChem CID 91827353) has the molecular formula C19H18N8 and a molecular weight of 358.41 g/mol. Its IUPAC name is 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile.

Molecular Properties

Compound Name4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile
PubChem CID91827353
Molecular FormulaC19H18N8
Molecular Weight358.41 g/mol
Exact Mass358.17
IUPAC Name4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile
SMILESCc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)nn1
InChIInChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3
InChIKeyYPRKVQKJNRKXFN-UHFFFAOYSA-N
XLogP2.42
TPSA90.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.41
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile?
The IUPAC name of 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile (CID 91827353) is 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile.
What is the SMILES notation for 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile?
The canonical SMILES for 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile is Cc1cn(CCn2cnc(-c3cnn(C)c3)c2-c2ccc(C#N)cc2)nn1.
What is the InChIKey of 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile?
The InChIKey is YPRKVQKJNRKXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N8/c1-14-11-27(24-23-14)8-7-26-13-21-18(17-10-22-25(2)12-17)19(26)16-5-3-15(9-20)4-6-16/h3-6,10-13H,7-8H2,1-2H3.
What are the key properties of 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile?
4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile has a molecular weight of 358.41 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(1-methylpyrazol-4-yl)-3-[2-(4-methyltriazol-1-yl)ethyl]imidazol-4-yl]benzonitrile is sourced from PubChem (CID 91827353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).