3-(1-ethylpyrazol-4-yl)propanenitrile

C8H11N3 — CID 62128053

IUPAC3-(1-ethylpyrazol-4-yl)propanenitrile
SMILESCCn1cc(CCC#N)cn1
InChIInChI=1S/C8H11N3/c1-2-11-7-8(6-10-11)4-3-5-9/h6-7H,2-4H2,1H3
InChIKeyINBUVSOTSJJVCW-UHFFFAOYSA-N
MW149.20 g/mol
LogP1.36
Rot. Bonds3

About 3-(1-ethylpyrazol-4-yl)propanenitrile

3-(1-ethylpyrazol-4-yl)propanenitrile (PubChem CID 62128053) has the molecular formula C8H11N3 and a molecular weight of 149.20 g/mol. Its IUPAC name is 3-(1-ethylpyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(1-ethylpyrazol-4-yl)propanenitrile
PubChem CID62128053
Molecular FormulaC8H11N3
Molecular Weight149.20 g/mol
Exact Mass149.10
IUPAC Name3-(1-ethylpyrazol-4-yl)propanenitrile
SMILESCCn1cc(CCC#N)cn1
InChIInChI=1S/C8H11N3/c1-2-11-7-8(6-10-11)4-3-5-9/h6-7H,2-4H2,1H3
InChIKeyINBUVSOTSJJVCW-UHFFFAOYSA-N
XLogP1.36
TPSA41.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500149.20
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1,4-diethylpyrazole;ethane
CID 143641951
4-(1-ethylpyrazol-4-yl)butan-1-amine
CID 64502922
2-[(1-ethylpyrazol-4-yl)methyl-propylamino]acetonitrile
CID 55211862
3-[4-(3-hydroxypropyl)pyrazol-1-yl]propanenitrile
CID 62718415
1-(1-ethylpyrazol-4-yl)-4-methylpentan-3-one
CID 62126384
6-(1-ethylpyrazol-4-yl)hexan-3-one
CID 64521135
6-(1-ethylpyrazol-4-yl)hexan-3-ol
CID 64514398
N-ethyl-1-(1-ethylpyrazol-4-yl)pentan-3-amine
CID 62126755
2-chloro-N-[2-(1-ethylpyrazol-4-yl)ethyl]acetamide
CID 166416305
3-(1-ethylpyrazol-4-yl)propanehydrazide
CID 55281645
4-(4-chloro-5-methylhexyl)-1-ethylpyrazole
CID 64508208
3-[4-[3-(2-methylpropylamino)propyl]pyrazol-1-yl]propanenitrile
CID 55111453

Frequently Asked Questions

What is the IUPAC name of 3-(1-ethylpyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(1-ethylpyrazol-4-yl)propanenitrile (CID 62128053) is 3-(1-ethylpyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(1-ethylpyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(1-ethylpyrazol-4-yl)propanenitrile is CCn1cc(CCC#N)cn1.
What is the InChIKey of 3-(1-ethylpyrazol-4-yl)propanenitrile?
The InChIKey is INBUVSOTSJJVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3/c1-2-11-7-8(6-10-11)4-3-5-9/h6-7H,2-4H2,1H3.
What are the key properties of 3-(1-ethylpyrazol-4-yl)propanenitrile?
3-(1-ethylpyrazol-4-yl)propanenitrile has a molecular weight of 149.20 g/mol, XLogP of 1.36, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-ethylpyrazol-4-yl)propanenitrile is sourced from PubChem (CID 62128053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).