1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide

C15H25N5O3 — CID 4769872

IUPAC1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O3/c1-9-11(20(22)23)12(19(6)17-9)13(21)16-10-7-14(2,3)18-15(4,5)8-10/h10,18H,7-8H2,1-6H3,(H,16,21)
InChIKeyCADNGWVELFFAQP-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.68
Rot. Bonds3

About 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide

1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide (PubChem CID 4769872) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide.

Molecular Properties

Compound Name1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
PubChem CID4769872
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide
SMILESCc1nn(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C15H25N5O3/c1-9-11(20(22)23)12(19(6)17-9)13(21)16-10-7-14(2,3)18-15(4,5)8-10/h10,18H,7-8H2,1-6H3,(H,16,21)
InChIKeyCADNGWVELFFAQP-UHFFFAOYSA-N
XLogP1.68
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
The IUPAC name of 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide (CID 4769872) is 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide.
What is the SMILES notation for 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
The canonical SMILES for 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide is Cc1nn(C)c(C(=O)NC2CC(C)(C)NC(C)(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
The InChIKey is CADNGWVELFFAQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-9-11(20(22)23)12(19(6)17-9)13(21)16-10-7-14(2,3)18-15(4,5)8-10/h10,18H,7-8H2,1-6H3,(H,16,21).
What are the key properties of 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide?
1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide has a molecular weight of 323.40 g/mol, XLogP of 1.68, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-dimethyl-4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrazole-5-carboxamide is sourced from PubChem (CID 4769872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).