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

C12H21N5 — CID 63310593

IUPAC3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CCCn1ccc(N)n1)CC(C)C#N
InChIInChI=1S/C12H21N5/c1-3-16(10-11(2)9-13)6-4-7-17-8-5-12(14)15-17/h5,8,11H,3-4,6-7,10H2,1-2H3,(H2,14,15)
InChIKeyWTKYYFMHYBMPFG-UHFFFAOYSA-N
MW235.33 g/mol
LogP1.34
Rot. Bonds7

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

3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile (PubChem CID 63310593) has the molecular formula C12H21N5 and a molecular weight of 235.33 g/mol. Its IUPAC name is 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile.

Molecular Properties

Compound Name3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
PubChem CID63310593
Molecular FormulaC12H21N5
Molecular Weight235.33 g/mol
Exact Mass235.18
IUPAC Name3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile
SMILESCCN(CCCn1ccc(N)n1)CC(C)C#N
InChIInChI=1S/C12H21N5/c1-3-16(10-11(2)9-13)6-4-7-17-8-5-12(14)15-17/h5,8,11H,3-4,6-7,10H2,1-2H3,(H2,14,15)
InChIKeyWTKYYFMHYBMPFG-UHFFFAOYSA-N
XLogP1.34
TPSA70.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[3-(3-aminopyrazol-1-yl)propyl-methylamino]-2-methylpropanenitrile
CID 63310595
1-[3-[benzyl(ethyl)amino]propyl]pyrazol-3-amine
CID 63310545
1-[3-[pentyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310706
1-[3-[butyl(methyl)amino]propyl]pyrazol-3-amine
CID 63310307
6-(3-aminopyrazol-1-yl)hexanenitrile
CID 165482072
1-[3-[ethyl(1-methoxypropan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310320
3-[ethyl(3-phenylpropyl)amino]-2-methylpropanenitrile
CID 61225285
3-[ethyl(3-fluoropropyl)amino]-2-methylpropanenitrile
CID 81105423
3-[3-(dimethylamino)propyl-ethylamino]-2-methylpropanenitrile
CID 115630903
2-[2-(3-aminopyrazol-1-yl)ethyl-butylamino]ethanol
CID 63316054
1-[3-[benzyl(propan-2-yl)amino]propyl]pyrazol-3-amine
CID 63310407
1-[2-[methyl(pentan-2-yl)amino]ethyl]pyrazol-3-amine
CID 63318328

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile?
The IUPAC name of 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile (CID 63310593) is 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile.
What is the SMILES notation for 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile?
The canonical SMILES for 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile is CCN(CCCn1ccc(N)n1)CC(C)C#N.
What is the InChIKey of 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile?
The InChIKey is WTKYYFMHYBMPFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N5/c1-3-16(10-11(2)9-13)6-4-7-17-8-5-12(14)15-17/h5,8,11H,3-4,6-7,10H2,1-2H3,(H2,14,15).
What are the key properties of 3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile?
3-[3-(3-aminopyrazol-1-yl)propyl-ethylamino]-2-methylpropanenitrile has a molecular weight of 235.33 g/mol, XLogP of 1.34, 7 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-ethylamino]-2-methylpropanenitrile is sourced from PubChem (CID 63310593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).