(5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone

C10H14N4O3 — CID 23274562

IUPAC(5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1[nH]nc(C(=O)N2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-7-9(14(16)17)8(12-11-7)10(15)13-5-3-2-4-6-13/h2-6H2,1H3,(H,11,12)
InChIKeyZOYMILMESWLBIV-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.25
Rot. Bonds2

About (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone

(5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone (PubChem CID 23274562) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone.

Molecular Properties

Compound Name(5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
PubChem CID23274562
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone
SMILESCc1[nH]nc(C(=O)N2CCCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O3/c1-7-9(14(16)17)8(12-11-7)10(15)13-5-3-2-4-6-13/h2-6H2,1H3,(H,11,12)
InChIKeyZOYMILMESWLBIV-UHFFFAOYSA-N
XLogP1.25
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone 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 (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The IUPAC name of (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone (CID 23274562) is (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone.
What is the SMILES notation for (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The canonical SMILES for (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone is Cc1[nH]nc(C(=O)N2CCCCC2)c1[N+](=O)[O-].
What is the InChIKey of (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
The InChIKey is ZOYMILMESWLBIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-7-9(14(16)17)8(12-11-7)10(15)13-5-3-2-4-6-13/h2-6H2,1H3,(H,11,12).
What are the key properties of (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone?
(5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone has a molecular weight of 238.25 g/mol, XLogP of 1.25, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-4-nitro-1H-pyrazol-3-yl)-piperidin-1-ylmethanone is sourced from PubChem (CID 23274562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).