N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide

C13H18N4O — CID 66120332

IUPACN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCC#N)C2CC2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-3-10-9-12(16(2)15-10)13(18)17(8-4-7-14)11-5-6-11/h9,11H,3-6,8H2,1-2H3
InChIKeyZIUOZVOHDXYGIQ-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.50
Rot. Bonds5

About N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide

N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide (PubChem CID 66120332) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
PubChem CID66120332
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC NameN-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
SMILESCCc1cc(C(=O)N(CCC#N)C2CC2)n(C)n1
InChIInChI=1S/C13H18N4O/c1-3-10-9-12(16(2)15-10)13(18)17(8-4-7-14)11-5-6-11/h9,11H,3-6,8H2,1-2H3
InChIKeyZIUOZVOHDXYGIQ-UHFFFAOYSA-N
XLogP1.50
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-aminoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121097
N-(2-aminoethyl)-N-cyclohexyl-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66121559
N-(azetidin-3-yl)-3-ethyl-1-methyl-N-propylpyrazole-5-carboxamide
CID 66184379
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-4-carboxamide
CID 103893889
N-cyclopropyl-3-ethyl-1-methyl-N-(pyrrolidin-2-ylmethyl)pyrazole-5-carboxamide
CID 106599278
4-amino-N-(2-cyanoethyl)-N-cyclopropyl-1-propylpyrrole-2-carboxamide
CID 61125746
N-(cyanomethyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66122287
3-ethyl-N,1-dimethyl-N-(4-oxocyclohexyl)pyrazole-5-carboxamide
CID 79120552
3-[cyclopropyl-(1,3-diethylpyrazole-5-carbonyl)amino]propanoic acid
CID 66121181
3-ethyl-N,1-dimethyl-N-piperidin-4-ylpyrazole-5-carboxamide
CID 66121344
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-6-methylpyridazine-4-carboxamide
CID 104625544
N-(3-aminopropyl)-N-cyclopropyl-1,3-diethylpyrazole-5-carboxamide
CID 66121370

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide (CID 66120332) is N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide is CCc1cc(C(=O)N(CCC#N)C2CC2)n(C)n1.
What is the InChIKey of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
The InChIKey is ZIUOZVOHDXYGIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-10-9-12(16(2)15-10)13(18)17(8-4-7-14)11-5-6-11/h9,11H,3-6,8H2,1-2H3.
What are the key properties of N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide?
N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide has a molecular weight of 246.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-N-cyclopropyl-3-ethyl-1-methylpyrazole-5-carboxamide is sourced from PubChem (CID 66120332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).