3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

C15H25N5O3 — CID 4771768

IUPAC3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC(C)(C)N1
InChIInChI=1S/C15H25N5O3/c1-14(2)7-11(8-15(3,4)18-14)17-13(21)5-6-19-10-12(9-16-19)20(22)23/h9-11,18H,5-8H2,1-4H3,(H,17,21)
InChIKeyNPLRBSVYVLHMIP-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.61
Rot. Bonds5

About 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide

3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 4771768) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID4771768
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC(C)(C)N1
InChIInChI=1S/C15H25N5O3/c1-14(2)7-11(8-15(3,4)18-14)17-13(21)5-6-19-10-12(9-16-19)20(22)23/h9-11,18H,5-8H2,1-4H3,(H,17,21)
InChIKeyNPLRBSVYVLHMIP-UHFFFAOYSA-N
XLogP1.61
TPSA102.09 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 51.61
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 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 4771768) is 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(NC(=O)CCn2cc([N+](=O)[O-])cn2)CC(C)(C)N1.
What is the InChIKey of 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is NPLRBSVYVLHMIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-14(2)7-11(8-15(3,4)18-14)17-13(21)5-6-19-10-12(9-16-19)20(22)23/h9-11,18H,5-8H2,1-4H3,(H,17,21).
What are the key properties of 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide has a molecular weight of 323.40 g/mol, XLogP of 1.61, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4771768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).