3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile

C12H21N5 — CID 66011475

IUPAC3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
SMILESCCn1nc(C)c(N)c1N(CCC#N)C(C)C
InChIInChI=1S/C12H21N5/c1-5-17-12(11(14)10(4)15-17)16(9(2)3)8-6-7-13/h9H,5-6,8,14H2,1-4H3
InChIKeyIXQXSHJGMWDXLK-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.92
Rot. Bonds5

About 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile

3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile (PubChem CID 66011475) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile.

Molecular Properties

Compound Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
PubChem CID66011475
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile
SMILESCCn1nc(C)c(N)c1N(CCC#N)C(C)C
InChIInChI=1S/C12H21N5/c1-5-17-12(11(14)10(4)15-17)16(9(2)3)8-6-7-13/h9H,5-6,8,14H2,1-4H3
InChIKeyIXQXSHJGMWDXLK-UHFFFAOYSA-N
XLogP1.92
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile?
The IUPAC name of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile (CID 66011475) is 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile.
What is the SMILES notation for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile?
The canonical SMILES for 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile is CCn1nc(C)c(N)c1N(CCC#N)C(C)C.
What is the InChIKey of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile?
The InChIKey is IXQXSHJGMWDXLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-5-17-12(11(14)10(4)15-17)16(9(2)3)8-6-7-13/h9H,5-6,8,14H2,1-4H3.
What are the key properties of 3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile?
3-[(4-amino-1-ethyl-3-methylpyrazol-5-yl)-propan-2-ylamino]propanenitrile has a molecular weight of 235.33 g/mol, XLogP of 1.92, 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)-propan-2-ylamino]propanenitrile is sourced from PubChem (CID 66011475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).