2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile

C16H19N5 — CID 56749788

IUPAC2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1
InChIInChI=1S/C16H19N5/c1-9(2)14-6-11(12(7-17)16(18)20-14)13-8-19-21(3)15(13)10-4-5-10/h6,8-10H,4-5H2,1-3H3,(H2,18,20)
InChIKeyZPUTVKZZUQHWHL-UHFFFAOYSA-N
MW281.36 g/mol
LogP2.94
Rot. Bonds3

About 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile

2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile (PubChem CID 56749788) has the molecular formula C16H19N5 and a molecular weight of 281.36 g/mol. Its IUPAC name is 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile.

Molecular Properties

Compound Name2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
PubChem CID56749788
Molecular FormulaC16H19N5
Molecular Weight281.36 g/mol
Exact Mass281.16
IUPAC Name2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile
SMILESCC(C)c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1
InChIInChI=1S/C16H19N5/c1-9(2)14-6-11(12(7-17)16(18)20-14)13-8-19-21(3)15(13)10-4-5-10/h6,8-10H,4-5H2,1-3H3,(H2,18,20)
InChIKeyZPUTVKZZUQHWHL-UHFFFAOYSA-N
XLogP2.94
TPSA80.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The IUPAC name of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile (CID 56749788) is 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile.
What is the SMILES notation for 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The canonical SMILES for 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile is CC(C)c1cc(-c2cnn(C)c2C2CC2)c(C#N)c(N)n1.
What is the InChIKey of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
The InChIKey is ZPUTVKZZUQHWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5/c1-9(2)14-6-11(12(7-17)16(18)20-14)13-8-19-21(3)15(13)10-4-5-10/h6,8-10H,4-5H2,1-3H3,(H2,18,20).
What are the key properties of 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile?
2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile has a molecular weight of 281.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(5-cyclopropyl-1-methylpyrazol-4-yl)-6-propan-2-ylpyridine-3-carbonitrile is sourced from PubChem (CID 56749788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).