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

C14H22N4O — CID 61239015

IUPACN-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
SMILESCCc1c(C)nn(CCC(=O)N(C)CCC#N)c1C
InChIInChI=1S/C14H22N4O/c1-5-13-11(2)16-18(12(13)3)10-7-14(19)17(4)9-6-8-15/h5-7,9-10H2,1-4H3
InChIKeyOEQMWAJLUNAZMW-UHFFFAOYSA-N
MW262.36 g/mol
LogP1.82
Rot. Bonds6

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

N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide (PubChem CID 61239015) has the molecular formula C14H22N4O and a molecular weight of 262.36 g/mol. Its IUPAC name is N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
PubChem CID61239015
Molecular FormulaC14H22N4O
Molecular Weight262.36 g/mol
Exact Mass262.18
IUPAC NameN-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide
SMILESCCc1c(C)nn(CCC(=O)N(C)CCC#N)c1C
InChIInChI=1S/C14H22N4O/c1-5-13-11(2)16-18(12(13)3)10-7-14(19)17(4)9-6-8-15/h5-7,9-10H2,1-4H3
InChIKeyOEQMWAJLUNAZMW-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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Related Compounds

3-(4-chloro-3,5-dimethylpyrazol-1-yl)-N-(2-cyanoethyl)-N-methylpropanamide
CID 55038458
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-ethyl-N-methylpropanamide
CID 134063394
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-(2-methylpropyl)propanamide
CID 134058992
N-[2-(4-bromophenoxy)ethyl]-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropanamide
CID 31533208
N-(2-cyanoethyl)-3-(4,5-dimethyl-2-oxo-1,3-thiazol-3-yl)-N-methylpropanamide
CID 63312767
N-(2-cyanoethyl)-N-methyl-3-(6-oxopyridazin-1-yl)propanamide
CID 62850678
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-[(2-hydroxycyclopentyl)methyl]-N-methylpropanamide
CID 109399955
N-(2-cyanoethyl)-3-(4-ethylpiperazin-1-yl)-N-methylpropanamide
CID 43288810
N-(1,3-benzodioxol-5-ylmethyl)-3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methylpropanamide
CID 31533411
N-(2-cyanoethyl)-3-[4-(dimethylamino)-6-oxopyridazin-1-yl]-N-methylpropanamide
CID 114395632
3-[1-(2-cyanoethyl)-3,5-dimethylpyrazol-4-yl]-N-methyl-N-[[2-(trifluoromethyl)phenyl]methyl]propanamide
CID 134002820
N-(2-cyanoethyl)-N-methylpropanamide
CID 21036687

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
The IUPAC name of N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide (CID 61239015) is N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide.
What is the SMILES notation for N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
The canonical SMILES for N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide is CCc1c(C)nn(CCC(=O)N(C)CCC#N)c1C.
What is the InChIKey of N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
The InChIKey is OEQMWAJLUNAZMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N4O/c1-5-13-11(2)16-18(12(13)3)10-7-14(19)17(4)9-6-8-15/h5-7,9-10H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide?
N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-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 N-(2-cyanoethyl)-3-(4-ethyl-3,5-dimethylpyrazol-1-yl)-N-methylpropanamide is sourced from PubChem (CID 61239015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).