N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide

C13H20N4O — CID 62865824

IUPACN-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C13H20N4O/c1-5-17-12(9-11(4)15-17)13(18)16(10(2)3)8-6-7-14/h9-10H,5-6,8H2,1-4H3
InChIKeyWFNACCIEYGPVCQ-UHFFFAOYSA-N
MW248.33 g/mol
LogP1.98
Rot. Bonds5

About N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide

N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide (PubChem CID 62865824) has the molecular formula C13H20N4O and a molecular weight of 248.33 g/mol. Its IUPAC name is N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
PubChem CID62865824
Molecular FormulaC13H20N4O
Molecular Weight248.33 g/mol
Exact Mass248.16
IUPAC NameN-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(CCC#N)C(C)C
InChIInChI=1S/C13H20N4O/c1-5-17-12(9-11(4)15-17)13(18)16(10(2)3)8-6-7-14/h9-10H,5-6,8H2,1-4H3
InChIKeyWFNACCIEYGPVCQ-UHFFFAOYSA-N
XLogP1.98
TPSA61.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.33
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 66128880
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
CID 60619942
N-(cyanomethyl)-1,3-diethyl-N-propan-2-ylpyrazole-5-carboxamide
CID 66121391
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
CID 71859611
N-(2-cyanoethyl)-1,3,5-trimethyl-N-propan-2-ylpyrazole-4-carboxamide
CID 54996295
N-(2-cyanoethyl)-5-methyl-N-propan-2-ylpyrazine-2-carboxamide
CID 103636019
N-(2-cyanoethyl)-2,4-difluoro-5-methyl-N-propan-2-ylbenzamide
CID 112696491
N-(2-cyanoethyl)-1-methyl-N-propan-2-ylimidazole-4-carboxamide
CID 103859688
5-amino-N-(2-cyanoethyl)-2-methyl-N-propan-2-ylpyridine-3-carboxamide
CID 54917156
3-chloro-N-(2-cyanoethyl)-5-methyl-N-propan-2-ylbenzamide
CID 81005610
4-bromo-N-(2-cyanoethyl)-N,1-di(propan-2-yl)pyrrole-2-carboxamide
CID 54877538

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The IUPAC name of N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide (CID 62865824) is N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The canonical SMILES for N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(CCC#N)C(C)C.
What is the InChIKey of N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide?
The InChIKey is WFNACCIEYGPVCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O/c1-5-17-12(9-11(4)15-17)13(18)16(10(2)3)8-6-7-14/h9-10H,5-6,8H2,1-4H3.
What are the key properties of N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide?
N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide has a molecular weight of 248.33 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide is sourced from PubChem (CID 62865824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).