3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile

C12H17N3 — CID 121212865

IUPAC3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1[nH]nc(C2CCC2)c1CCC#N
InChIInChI=1S/C12H17N3/c1-2-11-10(7-4-8-13)12(15-14-11)9-5-3-6-9/h9H,2-7H2,1H3,(H,14,15)
InChIKeyLFXDYPPHWVEQMB-UHFFFAOYSA-N
MW203.29 g/mol
LogP2.70
Rot. Bonds4

About 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile

3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212865) has the molecular formula C12H17N3 and a molecular weight of 203.29 g/mol. Its IUPAC name is 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212865
Molecular FormulaC12H17N3
Molecular Weight203.29 g/mol
Exact Mass203.14
IUPAC Name3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1[nH]nc(C2CCC2)c1CCC#N
InChIInChI=1S/C12H17N3/c1-2-11-10(7-4-8-13)12(15-14-11)9-5-3-6-9/h9H,2-7H2,1H3,(H,14,15)
InChIKeyLFXDYPPHWVEQMB-UHFFFAOYSA-N
XLogP2.70
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212765
3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212862
3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
CID 121212239
4-(chloromethyl)-5-ethyl-3-(oxan-4-yl)-1H-pyrazole
CID 121212828
[5-ethyl-3-(oxan-4-yl)-1H-pyrazol-4-yl]methanol
CID 121212817
3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
CID 171384521
2-[3,5-di(cyclobutyl)-1H-pyrazol-4-yl]ethanamine
CID 121213156
3-cyclobutyl-5-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CID 171111619
(3-cyclopentyl-5-methyl-1H-pyrazol-4-yl)methanol
CID 121212716
4-(chloromethyl)-3-cyclopentyl-5-methyl-1H-pyrazole
CID 121212728
3-cyclopentyl-5-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CID 171111620

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile (CID 121212865) is 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile is CCc1[nH]nc(C2CCC2)c1CCC#N.
What is the InChIKey of 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is LFXDYPPHWVEQMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3/c1-2-11-10(7-4-8-13)12(15-14-11)9-5-3-6-9/h9H,2-7H2,1H3,(H,14,15).
What are the key properties of 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 203.29 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).