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

C15H25N5O3 — CID 4772218

IUPAC3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2ccc([N+](=O)[O-])n2)CC(C)(C)N1
InChIInChI=1S/C15H25N5O3/c1-14(2)9-11(10-15(3,4)18-14)16-13(21)6-8-19-7-5-12(17-19)20(22)23/h5,7,11,18H,6,8-10H2,1-4H3,(H,16,21)
InChIKeyZKBBQBUBYJAVFT-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.61
Rot. Bonds5

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

3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (PubChem CID 4772218) has the molecular formula C15H25N5O3 and a molecular weight of 323.40 g/mol. Its IUPAC name is 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.

Molecular Properties

Compound Name3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
PubChem CID4772218
Molecular FormulaC15H25N5O3
Molecular Weight323.40 g/mol
Exact Mass323.20
IUPAC Name3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide
SMILESCC1(C)CC(NC(=O)CCn2ccc([N+](=O)[O-])n2)CC(C)(C)N1
InChIInChI=1S/C15H25N5O3/c1-14(2)9-11(10-15(3,4)18-14)16-13(21)6-8-19-7-5-12(17-19)20(22)23/h5,7,11,18H,6,8-10H2,1-4H3,(H,16,21)
InChIKeyZKBBQBUBYJAVFT-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-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The IUPAC name of 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide (CID 4772218) is 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide.
What is the SMILES notation for 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The canonical SMILES for 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is CC1(C)CC(NC(=O)CCn2ccc([N+](=O)[O-])n2)CC(C)(C)N1.
What is the InChIKey of 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
The InChIKey is ZKBBQBUBYJAVFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N5O3/c1-14(2)9-11(10-15(3,4)18-14)16-13(21)6-8-19-7-5-12(17-19)20(22)23/h5,7,11,18H,6,8-10H2,1-4H3,(H,16,21).
What are the key properties of 3-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide?
3-(3-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-(3-nitropyrazol-1-yl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)propanamide is sourced from PubChem (CID 4772218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).