3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile

C20H16N6 — CID 129315544

IUPAC3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1
InChIInChI=1S/C20H16N6/c21-8-4-10-26-14-17(12-24-26)16-7-9-22-18(11-16)20-23-13-19(25-20)15-5-2-1-3-6-15/h1-3,5-7,9,11-14H,4,10H2,(H,23,25)
InChIKeyQZRMUBWARWZCQF-UHFFFAOYSA-N
MW340.39 g/mol
LogP3.92
Rot. Bonds5

About 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile

3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile (PubChem CID 129315544) has the molecular formula C20H16N6 and a molecular weight of 340.39 g/mol. Its IUPAC name is 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile
PubChem CID129315544
Molecular FormulaC20H16N6
Molecular Weight340.39 g/mol
Exact Mass340.14
IUPAC Name3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile
SMILESN#CCCn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1
InChIInChI=1S/C20H16N6/c21-8-4-10-26-14-17(12-24-26)16-7-9-22-18(11-16)20-23-13-19(25-20)15-5-2-1-3-6-15/h1-3,5-7,9,11-14H,4,10H2,(H,23,25)
InChIKeyQZRMUBWARWZCQF-UHFFFAOYSA-N
XLogP3.92
TPSA83.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.39
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile (CID 129315544) is 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile is N#CCCn1cc(-c2ccnc(-c3ncc(-c4ccccc4)[nH]3)c2)cn1.
What is the InChIKey of 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile?
The InChIKey is QZRMUBWARWZCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6/c21-8-4-10-26-14-17(12-24-26)16-7-9-22-18(11-16)20-23-13-19(25-20)15-5-2-1-3-6-15/h1-3,5-7,9,11-14H,4,10H2,(H,23,25).
What are the key properties of 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile?
3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile has a molecular weight of 340.39 g/mol, XLogP of 3.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-[2-(5-phenyl-1H-imidazol-2-yl)-4-pyridinyl]pyrazol-1-yl]propanenitrile is sourced from PubChem (CID 129315544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).