3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile

C23H19N5 — CID 66559551

IUPAC3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile
SMILESCc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C23H19N5/c1-16-11-17(14-24)7-8-21(16)19-9-10-25-23(12-19)26-15-20-13-22(28-27-20)18-5-3-2-4-6-18/h2-13H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyRYMQLUDAGGRVBN-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.93
Rot. Bonds5

About 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile

3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile (PubChem CID 66559551) has the molecular formula C23H19N5 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile.

Molecular Properties

Compound Name3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile
PubChem CID66559551
Molecular FormulaC23H19N5
Molecular Weight365.44 g/mol
Exact Mass365.16
IUPAC Name3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile
SMILESCc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)c1
InChIInChI=1S/C23H19N5/c1-16-11-17(14-24)7-8-21(16)19-9-10-25-23(12-19)26-15-20-13-22(28-27-20)18-5-3-2-4-6-18/h2-13H,15H2,1H3,(H,25,26)(H,27,28)
InChIKeyRYMQLUDAGGRVBN-UHFFFAOYSA-N
XLogP4.93
TPSA77.39 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile?
The IUPAC name of 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile (CID 66559551) is 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile.
What is the SMILES notation for 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile?
The canonical SMILES for 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile is Cc1cc(C#N)ccc1-c1ccnc(NCc2cc(-c3ccccc3)n[nH]2)c1.
What is the InChIKey of 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile?
The InChIKey is RYMQLUDAGGRVBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5/c1-16-11-17(14-24)7-8-21(16)19-9-10-25-23(12-19)26-15-20-13-22(28-27-20)18-5-3-2-4-6-18/h2-13H,15H2,1H3,(H,25,26)(H,27,28).
What are the key properties of 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile?
3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile has a molecular weight of 365.44 g/mol, XLogP of 4.93, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-[2-[(3-phenyl-1H-pyrazol-5-yl)methylamino]-4-pyridinyl]benzonitrile is sourced from PubChem (CID 66559551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).