N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide

C12H18N4O — CID 103893927

IUPACN-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cn(C)nc1CC
InChIInChI=1S/C12H18N4O/c1-4-6-9(7-13)14-12(17)10-8-16(3)15-11(10)5-2/h8-9H,4-6H2,1-3H3,(H,14,17)
InChIKeyLJJGADZKLWPARA-UHFFFAOYSA-N
MW234.30 g/mol
LogP1.40
Rot. Bonds5

About N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide

N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 103893927) has the molecular formula C12H18N4O and a molecular weight of 234.30 g/mol. Its IUPAC name is N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID103893927
Molecular FormulaC12H18N4O
Molecular Weight234.30 g/mol
Exact Mass234.15
IUPAC NameN-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCCC(C#N)NC(=O)c1cn(C)nc1CC
InChIInChI=1S/C12H18N4O/c1-4-6-9(7-13)14-12(17)10-8-16(3)15-11(10)5-2/h8-9H,4-6H2,1-3H3,(H,14,17)
InChIKeyLJJGADZKLWPARA-UHFFFAOYSA-N
XLogP1.40
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-ethyl-1-methyl-N-(1-phenylbutyl)pyrazole-4-carboxamide
CID 166195891
N-(4-aminobutan-2-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102809915
N-but-3-yn-2-yl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 104919693
3-ethyl-N-[(2R)-1-hydroxypropan-2-yl]-1-methylpyrazole-4-carboxamide
CID 102810885
(2R)-2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-4-hydroxybutanoic acid
CID 114004974
3-ethyl-N-(1-hydroxy-4-methylpentan-3-yl)-1-methylpyrazole-4-carboxamide
CID 103894208
2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-methylbutanoic acid
CID 102810054
N-(1-cyanobutyl)-4-ethyl-2-methyl-1,3-thiazole-5-carboxamide
CID 139725811
N-(3-cyanopentan-3-yl)-3-ethyl-1-methylpyrazole-4-carboxamide
CID 102810446
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
N-(1-cyanobutyl)-3,6-dimethylpyridazine-4-carboxamide
CID 113344554
N-(1-cyanobutyl)-3-hydroxy-2-methylbenzamide
CID 82829779

Frequently Asked Questions

What is the IUPAC name of N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide (CID 103893927) is N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide is CCCC(C#N)NC(=O)c1cn(C)nc1CC.
What is the InChIKey of N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is LJJGADZKLWPARA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N4O/c1-4-6-9(7-13)14-12(17)10-8-16(3)15-11(10)5-2/h8-9H,4-6H2,1-3H3,(H,14,17).
What are the key properties of N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide?
N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 234.30 g/mol, XLogP of 1.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyanobutyl)-3-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 103893927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).