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

C11H15N3 — CID 121212864

IUPAC3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1[nH]nc(C2CC2)c1CCC#N
InChIInChI=1S/C11H15N3/c1-2-10-9(4-3-7-12)11(14-13-10)8-5-6-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyPABVQDKYEUNZRT-UHFFFAOYSA-N
MW189.26 g/mol
LogP2.31
Rot. Bonds4

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

3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212864) has the molecular formula C11H15N3 and a molecular weight of 189.26 g/mol. Its IUPAC name is 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212864
Molecular FormulaC11H15N3
Molecular Weight189.26 g/mol
Exact Mass189.13
IUPAC Name3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1[nH]nc(C2CC2)c1CCC#N
InChIInChI=1S/C11H15N3/c1-2-10-9(4-3-7-12)11(14-13-10)8-5-6-8/h8H,2-6H2,1H3,(H,13,14)
InChIKeyPABVQDKYEUNZRT-UHFFFAOYSA-N
XLogP2.31
TPSA52.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212865
3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212862
3-(3-cyclobutyl-5-methyl-1H-pyrazol-4-yl)propanenitrile
CID 121212765
3-cyclopropyl-5-ethyl-4-methyl-1H-pyrazole
CID 171384521
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
4-(bromomethyl)-3-cyclopropyl-5-methyl-1H-pyrazole
CID 121211442
2-(3,5-dicyclopropyl-1H-pyrazol-4-yl)ethanol
CID 121213065
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-5-ethyl-1H-pyrazole-3-carboxamide
CID 55034385
3-cyclopropyl-5-ethyl-4-[2-fluoro-2-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)ethenyl]-1H-pyrazole
CID 171111618
3-[3,5-di(propan-2-yl)-1H-pyrazol-4-yl]propanenitrile
CID 121213114

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile (CID 121212864) is 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile is CCc1[nH]nc(C2CC2)c1CCC#N.
What is the InChIKey of 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is PABVQDKYEUNZRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N3/c1-2-10-9(4-3-7-12)11(14-13-10)8-5-6-8/h8H,2-6H2,1H3,(H,13,14).
What are the key properties of 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile?
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 189.26 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).