3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile

C6H9N3 — CID 142894768

IUPAC3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile
SMILESN#CCCC1C=CNN1
InChIInChI=1S/C6H9N3/c7-4-1-2-6-3-5-8-9-6/h3,5-6,8-9H,1-2H2
InChIKeyYFSJDPXQUQYLPI-UHFFFAOYSA-N
MW123.16 g/mol
LogP0.28
Rot. Bonds2

About 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile

3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile (PubChem CID 142894768) has the molecular formula C6H9N3 and a molecular weight of 123.16 g/mol. Its IUPAC name is 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile.

Molecular Properties

Compound Name3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile
PubChem CID142894768
Molecular FormulaC6H9N3
Molecular Weight123.16 g/mol
Exact Mass123.08
IUPAC Name3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile
SMILESN#CCCC1C=CNN1
InChIInChI=1S/C6H9N3/c7-4-1-2-6-3-5-8-9-6/h3,5-6,8-9H,1-2H2
InChIKeyYFSJDPXQUQYLPI-UHFFFAOYSA-N
XLogP0.28
TPSA47.85 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500123.16
LogP ≤ 50.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile?
The IUPAC name of 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile (CID 142894768) is 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile.
What is the SMILES notation for 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile?
The canonical SMILES for 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile is N#CCCC1C=CNN1.
What is the InChIKey of 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile?
The InChIKey is YFSJDPXQUQYLPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3/c7-4-1-2-6-3-5-8-9-6/h3,5-6,8-9H,1-2H2.
What are the key properties of 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile?
3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile has a molecular weight of 123.16 g/mol, XLogP of 0.28, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1H-pyrazol-3-yl)propanenitrile is sourced from PubChem (CID 142894768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).