5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide

C18H33N5O — CID 75506278

IUPAC5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCCCN(C(=O)c1cnn(C)c1N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H33N5O/c1-7-8-9-23(16(24)14-12-20-22(6)15(14)19)13-10-17(2,3)21-18(4,5)11-13/h12-13,21H,7-11,19H2,1-6H3
InChIKeyVYHZKCRTAMJWTL-UHFFFAOYSA-N
MW335.50 g/mol
LogP2.55
Rot. Bonds5

About 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide

5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide (PubChem CID 75506278) has the molecular formula C18H33N5O and a molecular weight of 335.50 g/mol. Its IUPAC name is 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide
PubChem CID75506278
Molecular FormulaC18H33N5O
Molecular Weight335.50 g/mol
Exact Mass335.27
IUPAC Name5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide
SMILESCCCCN(C(=O)c1cnn(C)c1N)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C18H33N5O/c1-7-8-9-23(16(24)14-12-20-22(6)15(14)19)13-10-17(2,3)21-18(4,5)11-13/h12-13,21H,7-11,19H2,1-6H3
InChIKeyVYHZKCRTAMJWTL-UHFFFAOYSA-N
XLogP2.55
TPSA76.18 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.50
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide?
The IUPAC name of 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide (CID 75506278) is 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide.
What is the SMILES notation for 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide?
The canonical SMILES for 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide is CCCCN(C(=O)c1cnn(C)c1N)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide?
The InChIKey is VYHZKCRTAMJWTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H33N5O/c1-7-8-9-23(16(24)14-12-20-22(6)15(14)19)13-10-17(2,3)21-18(4,5)11-13/h12-13,21H,7-11,19H2,1-6H3.
What are the key properties of 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide?
5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide has a molecular weight of 335.50 g/mol, XLogP of 2.55, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-butyl-1-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 75506278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).