5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide

C11H19N5O2 — CID 115330529

IUPAC5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H19N5O2/c1-5-16(7-9(17)14(2)3)11(18)8-6-13-15(4)10(8)12/h6H,5,7,12H2,1-4H3
InChIKeyAXQKZKBJYCRKFW-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.45
Rot. Bonds4

About 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide

5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide (PubChem CID 115330529) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide
PubChem CID115330529
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide
SMILESCCN(CC(=O)N(C)C)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H19N5O2/c1-5-16(7-9(17)14(2)3)11(18)8-6-13-15(4)10(8)12/h6H,5,7,12H2,1-4H3
InChIKeyAXQKZKBJYCRKFW-UHFFFAOYSA-N
XLogP-0.45
TPSA84.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
CID 113288554
5-amino-N-[2-[ethyl(methyl)amino]-2-oxoethyl]-1-methylpyrazole-4-carboxamide
CID 104928029
5-amino-N,1-dimethyl-N-pentan-2-ylpyrazole-4-carboxamide
CID 115330445
5-amino-N,1-dimethyl-N-(2-methylsulfanylethyl)pyrazole-4-carboxamide
CID 112663204
5-amino-N-(2-amino-2-oxoethyl)-1-methyl-N-propan-2-ylpyrazole-4-carboxamide
CID 113288547
5-amino-N,1-dimethyl-N-(3-methylbutyl)pyrazole-4-carboxamide
CID 115330507
3-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1H-pyrazole-5-carboxamide
CID 64524032
5-amino-N-(2-methoxyethyl)-N-(3-methoxypropyl)-1-methylpyrazole-4-carboxamide
CID 115330607
5-amino-N-(2-hydroxyethyl)-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-4-carboxamide
CID 104625736
5-amino-N-[2-(dimethylamino)propyl]-1-methylpyrazole-4-carboxamide
CID 115330694
5-amino-N-[2-(diethylamino)ethyl]-1-methylpyrazole-4-carboxamide
CID 82546931
4-amino-N-[2-(dimethylamino)-2-oxoethyl]-1-methyl-N-(2,2,2-trifluoroethyl)pyrazole-5-carboxamide
CID 65359633

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide (CID 115330529) is 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide is CCN(CC(=O)N(C)C)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
The InChIKey is AXQKZKBJYCRKFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-5-16(7-9(17)14(2)3)11(18)8-6-13-15(4)10(8)12/h6H,5,7,12H2,1-4H3.
What are the key properties of 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide?
5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[2-(dimethylamino)-2-oxoethyl]-N-ethyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 115330529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).