3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide

C14H22N4O — CID 134063394

IUPAC3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)CCc1c(C)nn(CCC#N)c1C
InChIInChI=1S/C14H22N4O/c1-5-17(4)14(19)8-7-13-11(2)16-18(12(13)3)10-6-9-15/h5-8,10H2,1-4H3
InChIKeyWVBIHVQGONPAFI-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.82
Rot. Bonds6

About 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide

3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide (PubChem CID 134063394) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide.

Molecular Properties

Compound Name3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide
PubChem CID134063394
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC Name3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide
SMILESCCN(C)C(=O)CCc1c(C)nn(CCC#N)c1C
InChIInChI=1S/C14H22N4O/c1-5-17(4)14(19)8-7-13-11(2)16-18(12(13)3)10-6-9-15/h5-8,10H2,1-4H3
InChIKeyWVBIHVQGONPAFI-UHFFFAOYSA-N
XLogP1.82
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.36
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide?
The IUPAC name of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide (CID 134063394) is 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide.
What is the SMILES notation for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide?
The canonical SMILES for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide is CCN(C)C(=O)CCc1c(C)nn(CCC#N)c1C.
What is the InChIKey of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide?
The InChIKey is WVBIHVQGONPAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-17(4)14(19)8-7-13-11(2)16-18(12(13)3)10-6-9-15/h5-8,10H2,1-4H3.
What are the key properties of 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide?
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide has a molecular weight of 262.36 g/mol, XLogP of 1.82, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide is sourced from PubChem (CID 134063394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).