2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide

C17H31N3O — CID 60619942

IUPAC2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H31N3O/c1-7-20-16(12-15(6)18-20)17(21)19(10-8-13(2)3)11-9-14(4)5/h12-14H,7-11H2,1-6H3
InChIKeyYRVMFUKFEHGDBY-UHFFFAOYSA-N
MW293.46 g/mol
LogP3.75
Rot. Bonds8

About 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide

2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide (PubChem CID 60619942) has the molecular formula C17H31N3O and a molecular weight of 293.46 g/mol. Its IUPAC name is 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
PubChem CID60619942
Molecular FormulaC17H31N3O
Molecular Weight293.46 g/mol
Exact Mass293.25
IUPAC Name2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide
SMILESCCn1nc(C)cc1C(=O)N(CCC(C)C)CCC(C)C
InChIInChI=1S/C17H31N3O/c1-7-20-16(12-15(6)18-20)17(21)19(10-8-13(2)3)11-9-14(4)5/h12-14H,7-11H2,1-6H3
InChIKeyYRVMFUKFEHGDBY-UHFFFAOYSA-N
XLogP3.75
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.46
LogP ≤ 53.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-ethyl-N-(2-hydroxyethyl)-5-methylpyrazole-3-carboxamide
CID 66120277
2-ethyl-N,5-dimethyl-N-propan-2-ylsulfonylpyrazole-3-carboxamide
CID 71859611
3-[ethyl-(2-ethyl-5-methylpyrazole-3-carbonyl)amino]butanoic acid
CID 66127193
4-[(2-ethyl-5-methylpyrazole-3-carbonyl)-propan-2-ylamino]butanoic acid
CID 66128880
N-(2-cyanoethyl)-2-ethyl-5-methyl-N-propan-2-ylpyrazole-3-carboxamide
CID 62865824
3-amino-1-ethyl-N,N-bis(2-methylpropyl)pyrazole-5-carboxamide
CID 122171333
N-(2-amino-2-hydroxyiminoethyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 77113193
N-(3-amino-2,2-dimethylpropyl)-N,2-diethyl-5-methylpyrazole-3-carboxamide
CID 79668480
2-ethyl-N-(2-hydroxy-2,5-dimethylhexyl)-5-methylpyrazole-3-carboxamide
CID 111485478
N-(4-chloropentyl)-2-ethyl-5-methylpyrazole-3-carboxamide
CID 106129797
4-amino-1-ethyl-N,N-bis(3-methylbutyl)pyrrole-2-carboxamide
CID 61106069
2-ethyl-N-(4-hydroxy-2-methylbutyl)-5-methylpyrazole-3-carboxamide
CID 66120282

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide?
The IUPAC name of 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide (CID 60619942) is 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide.
What is the SMILES notation for 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide?
The canonical SMILES for 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide is CCn1nc(C)cc1C(=O)N(CCC(C)C)CCC(C)C.
What is the InChIKey of 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide?
The InChIKey is YRVMFUKFEHGDBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H31N3O/c1-7-20-16(12-15(6)18-20)17(21)19(10-8-13(2)3)11-9-14(4)5/h12-14H,7-11H2,1-6H3.
What are the key properties of 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide?
2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide has a molecular weight of 293.46 g/mol, XLogP of 3.75, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-5-methyl-N,N-bis(3-methylbutyl)pyrazole-3-carboxamide is sourced from PubChem (CID 60619942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).