3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile

C11H18N4 — CID 115571469

IUPAC3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
SMILESCc1cc(C)n(CCCNCCC#N)n1
InChIInChI=1S/C11H18N4/c1-10-9-11(2)15(14-10)8-4-7-13-6-3-5-12/h9,13H,3-4,6-8H2,1-2H3
InChIKeyNUZVEFVQLQJYAD-UHFFFAOYSA-N
MW206.29 g/mol
LogP1.39
Rot. Bonds6

About 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile

3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile (PubChem CID 115571469) has the molecular formula C11H18N4 and a molecular weight of 206.29 g/mol. Its IUPAC name is 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile.

Molecular Properties

Compound Name3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
PubChem CID115571469
Molecular FormulaC11H18N4
Molecular Weight206.29 g/mol
Exact Mass206.15
IUPAC Name3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile
SMILESCc1cc(C)n(CCCNCCC#N)n1
InChIInChI=1S/C11H18N4/c1-10-9-11(2)15(14-10)8-4-7-13-6-3-5-12/h9,13H,3-4,6-8H2,1-2H3
InChIKeyNUZVEFVQLQJYAD-UHFFFAOYSA-N
XLogP1.39
TPSA53.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-3-yn-1-amine
CID 114536533
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]octan-1-amine
CID 115573303
N-[3-(3,5-dimethylpyrazol-1-yl)propyl]pent-4-en-1-amine
CID 114536472
5-[[3-(3,5-dimethylpyrazol-1-yl)propylamino]methyl]thiophene-3-carbonitrile
CID 115673613
3-(3,5-dimethylpyrazol-1-yl)-N-prop-2-enylpropan-1-amine
CID 115574431
3-(3,5-dimethylpyrazol-1-yl)-N-(2-phenylethyl)propan-1-amine
CID 115572658
3-(3,5-dimethylpyrazol-1-yl)-N-[2-(4-methylpiperazin-1-yl)ethyl]propan-1-amine
CID 114536437
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]-2-methylpropan-1-ol
CID 114536486
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propane-1,2-diol
CID 115569666
N-(cyclobutylmethyl)-3-(3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 114536339
3-(3,5-dimethylpyrazol-1-yl)-N-(2-pyridin-2-ylethyl)propan-1-amine
CID 115571467
2-[3-(3,5-dimethylpyrazol-1-yl)propylamino]benzonitrile
CID 115574138

Frequently Asked Questions

What is the IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile?
The IUPAC name of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile (CID 115571469) is 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile.
What is the SMILES notation for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile?
The canonical SMILES for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile is Cc1cc(C)n(CCCNCCC#N)n1.
What is the InChIKey of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile?
The InChIKey is NUZVEFVQLQJYAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4/c1-10-9-11(2)15(14-10)8-4-7-13-6-3-5-12/h9,13H,3-4,6-8H2,1-2H3.
What are the key properties of 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile?
3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile has a molecular weight of 206.29 g/mol, XLogP of 1.39, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(3,5-dimethylpyrazol-1-yl)propylamino]propanenitrile is sourced from PubChem (CID 115571469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).