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

C13H14N4 — CID 121212239

IUPAC3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1[nH]nc(-c2ccncc2)c1CCC#N
InChIInChI=1S/C13H14N4/c1-2-12-11(4-3-7-14)13(17-16-12)10-5-8-15-9-6-10/h5-6,8-9H,2-4H2,1H3,(H,16,17)
InChIKeyIMSBDLLCEIXMFN-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.49
Rot. Bonds4

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

3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile (PubChem CID 121212239) has the molecular formula C13H14N4 and a molecular weight of 226.28 g/mol. Its IUPAC name is 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile.

Molecular Properties

Compound Name3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
PubChem CID121212239
Molecular FormulaC13H14N4
Molecular Weight226.28 g/mol
Exact Mass226.12
IUPAC Name3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile
SMILESCCc1[nH]nc(-c2ccncc2)c1CCC#N
InChIInChI=1S/C13H14N4/c1-2-12-11(4-3-7-14)13(17-16-12)10-5-8-15-9-6-10/h5-6,8-9H,2-4H2,1H3,(H,16,17)
InChIKeyIMSBDLLCEIXMFN-UHFFFAOYSA-N
XLogP2.49
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)ethanamine
CID 121212244
3-(3,5-diethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212862
3-(3-cyclopropyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212864
4-(3,5-diethyl-1H-pyrazol-4-yl)pyridine
CID 102266456
3-(3-cyclobutyl-5-ethyl-1H-pyrazol-4-yl)propanenitrile
CID 121212865
methyl 5-ethyl-3-pyridin-4-yl-1H-pyrazole-4-carboxylate
CID 121212204
5-ethyl-3-phenyl-1H-pyrazole-4-carbonitrile
CID 121212676
5-methyl-3-pyridin-4-yl-1H-pyrazole-4-carbonitrile
CID 121212221
3-(1H-pyrazol-5-yl)propanenitrile
CID 59681732
5-ethyl-4-methyl-3-phenyl-1H-pyrazole
CID 134439971
N-[(3-phenyl-4-propyl-1H-pyrazol-5-yl)methyl]ethanamine
CID 54847412
2-[3-(4-fluorophenyl)-4-pyridin-4-yl-1H-pyrazol-5-yl]ethanamine
CID 22953668

Frequently Asked Questions

What is the IUPAC name of 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile?
The IUPAC name of 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile (CID 121212239) is 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile.
What is the SMILES notation for 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile?
The canonical SMILES for 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile is CCc1[nH]nc(-c2ccncc2)c1CCC#N.
What is the InChIKey of 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile?
The InChIKey is IMSBDLLCEIXMFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4/c1-2-12-11(4-3-7-14)13(17-16-12)10-5-8-15-9-6-10/h5-6,8-9H,2-4H2,1H3,(H,16,17).
What are the key properties of 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile?
3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile has a molecular weight of 226.28 g/mol, XLogP of 2.49, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-ethyl-3-pyridin-4-yl-1H-pyrazol-4-yl)propanenitrile is sourced from PubChem (CID 121212239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).