3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile

C10H16N4 — CID 79219987

IUPAC3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
SMILESCc1nn(CCC#N)c(C)c1CCN
InChIInChI=1S/C10H16N4/c1-8-10(4-6-12)9(2)14(13-8)7-3-5-11/h3-4,6-7,12H2,1-2H3
InChIKeyLROJLOVNVFYWSO-UHFFFAOYSA-N
MW192.27 g/mol
LogP0.91
Rot. Bonds4

About 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile

3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile (PubChem CID 79219987) has the molecular formula C10H16N4 and a molecular weight of 192.27 g/mol. Its IUPAC name is 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile.

Molecular Properties

Compound Name3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
PubChem CID79219987
Molecular FormulaC10H16N4
Molecular Weight192.27 g/mol
Exact Mass192.14
IUPAC Name3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile
SMILESCc1nn(CCC#N)c(C)c1CCN
InChIInChI=1S/C10H16N4/c1-8-10(4-6-12)9(2)14(13-8)7-3-5-11/h3-4,6-7,12H2,1-2H3
InChIKeyLROJLOVNVFYWSO-UHFFFAOYSA-N
XLogP0.91
TPSA67.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.27
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile?
The IUPAC name of 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile (CID 79219987) is 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile.
What is the SMILES notation for 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile?
The canonical SMILES for 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile is Cc1nn(CCC#N)c(C)c1CCN.
What is the InChIKey of 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile?
The InChIKey is LROJLOVNVFYWSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4/c1-8-10(4-6-12)9(2)14(13-8)7-3-5-11/h3-4,6-7,12H2,1-2H3.
What are the key properties of 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile?
3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile has a molecular weight of 192.27 g/mol, XLogP of 0.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-aminoethyl)-3,5-dimethylpyrazol-1-yl]propanenitrile is sourced from PubChem (CID 79219987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).