3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile

C12H19N5 — CID 66011476

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile
SMILESCCn1nc(C)c(N)c1N(CCC#N)C1CC1
InChIInChI=1S/C12H19N5/c1-3-17-12(11(14)9(2)15-17)16(8-4-7-13)10-5-6-10/h10H,3-6,8,14H2,1-2H3
InChIKeyLZONLPUOOIVSNW-UHFFFAOYSA-N
MW233.32 g/mol
LogP1.68
Rot. Bonds5

About 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile (PubChem CID 66011476) has the molecular formula C12H19N5 and a molecular weight of 233.32 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile
PubChem CID66011476
Molecular FormulaC12H19N5
Molecular Weight233.32 g/mol
Exact Mass233.16
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile
SMILESCCn1nc(C)c(N)c1N(CCC#N)C1CC1
InChIInChI=1S/C12H19N5/c1-3-17-12(11(14)9(2)15-17)16(8-4-7-13)10-5-6-10/h10H,3-6,8,14H2,1-2H3
InChIKeyLZONLPUOOIVSNW-UHFFFAOYSA-N
XLogP1.68
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.32
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile (CID 66011476) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile is CCn1nc(C)c(N)c1N(CCC#N)C1CC1.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile?
The InChIKey is LZONLPUOOIVSNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N5/c1-3-17-12(11(14)9(2)15-17)16(8-4-7-13)10-5-6-10/h10H,3-6,8,14H2,1-2H3.
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile has a molecular weight of 233.32 g/mol, XLogP of 1.68, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-cyclopropylamino]propanenitrile is sourced from PubChem (CID 66011476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).