3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile

C19H19N5 — CID 47052523

IUPAC3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile
SMILESCc1cc(C)n(-c2ccc(CNCc3cccc(C#N)c3)cn2)n1
InChIInChI=1S/C19H19N5/c1-14-8-15(2)24(23-14)19-7-6-18(13-22-19)12-21-11-17-5-3-4-16(9-17)10-20/h3-9,13,21H,11-12H2,1-2H3
InChIKeyWLUJGASIOJUSQJ-UHFFFAOYSA-N
MW317.40 g/mol
LogP3.05
Rot. Bonds5

About 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile

3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile (PubChem CID 47052523) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile.

Molecular Properties

Compound Name3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile
PubChem CID47052523
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile
SMILESCc1cc(C)n(-c2ccc(CNCc3cccc(C#N)c3)cn2)n1
InChIInChI=1S/C19H19N5/c1-14-8-15(2)24(23-14)19-7-6-18(13-22-19)12-21-11-17-5-3-4-16(9-17)10-20/h3-9,13,21H,11-12H2,1-2H3
InChIKeyWLUJGASIOJUSQJ-UHFFFAOYSA-N
XLogP3.05
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile?
The IUPAC name of 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile (CID 47052523) is 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile.
What is the SMILES notation for 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile?
The canonical SMILES for 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile is Cc1cc(C)n(-c2ccc(CNCc3cccc(C#N)c3)cn2)n1.
What is the InChIKey of 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile?
The InChIKey is WLUJGASIOJUSQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5/c1-14-8-15(2)24(23-14)19-7-6-18(13-22-19)12-21-11-17-5-3-4-16(9-17)10-20/h3-9,13,21H,11-12H2,1-2H3.
What are the key properties of 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile?
3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[[6-(3,5-dimethylpyrazol-1-yl)-3-pyridinyl]methylamino]methyl]benzonitrile is sourced from PubChem (CID 47052523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).