1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one

C12H14N6O3 — CID 91660041

IUPAC1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(n3cc([N+](=O)[O-])cn3)C2=O)n1
InChIInChI=1S/C12H14N6O3/c1-15-6-4-11(14-15)16-5-2-3-10(12(16)19)17-8-9(7-13-17)18(20)21/h4,6-8,10H,2-3,5H2,1H3
InChIKeyCUZORZVUZBEPSC-UHFFFAOYSA-N
MW290.28 g/mol
LogP0.89
Rot. Bonds3

About 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one

1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one (PubChem CID 91660041) has the molecular formula C12H14N6O3 and a molecular weight of 290.28 g/mol. Its IUPAC name is 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one
PubChem CID91660041
Molecular FormulaC12H14N6O3
Molecular Weight290.28 g/mol
Exact Mass290.11
IUPAC Name1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one
SMILESCn1ccc(N2CCCC(n3cc([N+](=O)[O-])cn3)C2=O)n1
InChIInChI=1S/C12H14N6O3/c1-15-6-4-11(14-15)16-5-2-3-10(12(16)19)17-8-9(7-13-17)18(20)21/h4,6-8,10H,2-3,5H2,1H3
InChIKeyCUZORZVUZBEPSC-UHFFFAOYSA-N
XLogP0.89
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one (CID 91660041) is 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one is Cn1ccc(N2CCCC(n3cc([N+](=O)[O-])cn3)C2=O)n1.
What is the InChIKey of 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one?
The InChIKey is CUZORZVUZBEPSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O3/c1-15-6-4-11(14-15)16-5-2-3-10(12(16)19)17-8-9(7-13-17)18(20)21/h4,6-8,10H,2-3,5H2,1H3.
What are the key properties of 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one?
1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one has a molecular weight of 290.28 g/mol, XLogP of 0.89, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one is sourced from PubChem (CID 91660041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).