3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile

C11H19N5 — CID 63310595

IUPAC3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)CCCn1ccc(N)n1
InChIInChI=1S/C11H19N5/c1-10(8-12)9-15(2)5-3-6-16-7-4-11(13)14-16/h4,7,10H,3,5-6,9H2,1-2H3,(H2,13,14)
InChIKeyGADREKVWRQKECH-UHFFFAOYSA-N
MW221.31 g/mol
LogP0.95
Rot. Bonds6

About 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile

3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile (PubChem CID 63310595) has the molecular formula C11H19N5 and a molecular weight of 221.31 g/mol. Its IUPAC name is 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
PubChem CID63310595
Molecular FormulaC11H19N5
Molecular Weight221.31 g/mol
Exact Mass221.16
IUPAC Name3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
SMILESCC(C#N)CN(C)CCCn1ccc(N)n1
InChIInChI=1S/C11H19N5/c1-10(8-12)9-15(2)5-3-6-16-7-4-11(13)14-16/h4,7,10H,3,5-6,9H2,1-2H3,(H2,13,14)
InChIKeyGADREKVWRQKECH-UHFFFAOYSA-N
XLogP0.95
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.31
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile (CID 63310595) is 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile is CC(C#N)CN(C)CCCn1ccc(N)n1.
What is the InChIKey of 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile?
The InChIKey is GADREKVWRQKECH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5/c1-10(8-12)9-15(2)5-3-6-16-7-4-11(13)14-16/h4,7,10H,3,5-6,9H2,1-2H3,(H2,13,14).
What are the key properties of 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile?
3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile has a molecular weight of 221.31 g/mol, XLogP of 0.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile is sourced from PubChem (CID 63310595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).