4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide

C11H15N5O4 — CID 550153

IUPAC4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O4/c17-9(15-4-2-1-3-5-15)7-12-11(18)10-8(16(19)20)6-13-14-10/h6H,1-5,7H2,(H,12,18)(H,13,14)
InChIKeyVCXHXHCMRXYGCE-UHFFFAOYSA-N
MW281.27 g/mol
LogP0.06
Rot. Bonds4

About 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide

4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide (PubChem CID 550153) has the molecular formula C11H15N5O4 and a molecular weight of 281.27 g/mol. Its IUPAC name is 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide
PubChem CID550153
Molecular FormulaC11H15N5O4
Molecular Weight281.27 g/mol
Exact Mass281.11
IUPAC Name4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide
SMILESO=C(NCC(=O)N1CCCCC1)c1[nH]ncc1[N+](=O)[O-]
InChIInChI=1S/C11H15N5O4/c17-9(15-4-2-1-3-5-15)7-12-11(18)10-8(16(19)20)6-13-14-10/h6H,1-5,7H2,(H,12,18)(H,13,14)
InChIKeyVCXHXHCMRXYGCE-UHFFFAOYSA-N
XLogP0.06
TPSA121.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.27
LogP ≤ 50.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The IUPAC name of 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide (CID 550153) is 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The canonical SMILES for 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide is O=C(NCC(=O)N1CCCCC1)c1[nH]ncc1[N+](=O)[O-].
What is the InChIKey of 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
The InChIKey is VCXHXHCMRXYGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5O4/c17-9(15-4-2-1-3-5-15)7-12-11(18)10-8(16(19)20)6-13-14-10/h6H,1-5,7H2,(H,12,18)(H,13,14).
What are the key properties of 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide?
4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide has a molecular weight of 281.27 g/mol, XLogP of 0.06, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-N-(2-oxo-2-piperidin-1-ylethyl)-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 550153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).