2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile

C19H19N5 — CID 38744969

IUPAC2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(-n2ncc([C@@H](C)Nc3ncccc3C#N)c2C)cc1
InChIInChI=1S/C19H19N5/c1-13-6-8-17(9-7-13)24-15(3)18(12-22-24)14(2)23-19-16(11-20)5-4-10-21-19/h4-10,12,14H,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyDJVVDDGSRKSKLZ-CQSZACIVSA-N
MW317.40 g/mol
LogP3.93
Rot. Bonds4

About 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile

2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile (PubChem CID 38744969) has the molecular formula C19H19N5 and a molecular weight of 317.40 g/mol. Its IUPAC name is 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile.

Molecular Properties

Compound Name2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile
PubChem CID38744969
Molecular FormulaC19H19N5
Molecular Weight317.40 g/mol
Exact Mass317.16
IUPAC Name2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile
SMILESCc1ccc(-n2ncc([C@@H](C)Nc3ncccc3C#N)c2C)cc1
InChIInChI=1S/C19H19N5/c1-13-6-8-17(9-7-13)24-15(3)18(12-22-24)14(2)23-19-16(11-20)5-4-10-21-19/h4-10,12,14H,1-3H3,(H,21,23)/t14-/m1/s1
InChIKeyDJVVDDGSRKSKLZ-CQSZACIVSA-N
XLogP3.93
TPSA66.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.40
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile?
The IUPAC name of 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile (CID 38744969) is 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile.
What is the SMILES notation for 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile?
The canonical SMILES for 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile is Cc1ccc(-n2ncc([C@@H](C)Nc3ncccc3C#N)c2C)cc1.
What is the InChIKey of 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile?
The InChIKey is DJVVDDGSRKSKLZ-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N5/c1-13-6-8-17(9-7-13)24-15(3)18(12-22-24)14(2)23-19-16(11-20)5-4-10-21-19/h4-10,12,14H,1-3H3,(H,21,23)/t14-/m1/s1.
What are the key properties of 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile?
2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile has a molecular weight of 317.40 g/mol, XLogP of 3.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(1R)-1-[5-methyl-1-(4-methylphenyl)pyrazol-4-yl]ethyl]amino]pyridine-3-carbonitrile is sourced from PubChem (CID 38744969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).