5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide

C11H19N5O2 — CID 113288554

IUPAC5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H19N5O2/c1-3-4-5-16(7-9(12)17)11(18)8-6-14-15(2)10(8)13/h6H,3-5,7,13H2,1-2H3,(H2,12,17)
InChIKeyLZZKJXFMJVXOGR-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.27
Rot. Bonds6

About 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide

5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide (PubChem CID 113288554) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
PubChem CID113288554
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide
SMILESCCCCN(CC(N)=O)C(=O)c1cnn(C)c1N
InChIInChI=1S/C11H19N5O2/c1-3-4-5-16(7-9(12)17)11(18)8-6-14-15(2)10(8)13/h6H,3-5,7,13H2,1-2H3,(H2,12,17)
InChIKeyLZZKJXFMJVXOGR-UHFFFAOYSA-N
XLogP-0.27
TPSA107.24 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide (CID 113288554) is 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide is CCCCN(CC(N)=O)C(=O)c1cnn(C)c1N.
What is the InChIKey of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
The InChIKey is LZZKJXFMJVXOGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-3-4-5-16(7-9(12)17)11(18)8-6-14-15(2)10(8)13/h6H,3-5,7,13H2,1-2H3,(H2,12,17).
What are the key properties of 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide?
5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2-amino-2-oxoethyl)-N-butyl-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 113288554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).