3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile

C9H14N4O — CID 103994981

IUPAC3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile
SMILESCCCc1[nH]n(CCC#N)c(=O)c1N
InChIInChI=1S/C9H14N4O/c1-2-4-7-8(11)9(14)13(12-7)6-3-5-10/h12H,2-4,6,11H2,1H3
InChIKeyIELRUSHJOAGGEJ-UHFFFAOYSA-N
MW194.24 g/mol
LogP0.62
Rot. Bonds4

About 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile

3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile (PubChem CID 103994981) has the molecular formula C9H14N4O and a molecular weight of 194.24 g/mol. Its IUPAC name is 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile.

Molecular Properties

Compound Name3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile
PubChem CID103994981
Molecular FormulaC9H14N4O
Molecular Weight194.24 g/mol
Exact Mass194.12
IUPAC Name3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile
SMILESCCCc1[nH]n(CCC#N)c(=O)c1N
InChIInChI=1S/C9H14N4O/c1-2-4-7-8(11)9(14)13(12-7)6-3-5-10/h12H,2-4,6,11H2,1H3
InChIKeyIELRUSHJOAGGEJ-UHFFFAOYSA-N
XLogP0.62
TPSA87.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.24
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile?
The IUPAC name of 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile (CID 103994981) is 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile.
What is the SMILES notation for 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile?
The canonical SMILES for 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile is CCCc1[nH]n(CCC#N)c(=O)c1N.
What is the InChIKey of 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile?
The InChIKey is IELRUSHJOAGGEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O/c1-2-4-7-8(11)9(14)13(12-7)6-3-5-10/h12H,2-4,6,11H2,1H3.
What are the key properties of 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile?
3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile has a molecular weight of 194.24 g/mol, XLogP of 0.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-amino-3-oxo-5-propyl-1H-pyrazol-2-yl)propanenitrile is sourced from PubChem (CID 103994981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).