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

C11H12N6O3 — CID 86771294

IUPAC1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(n3cc([N+](=O)[O-])cn3)C2=O)cn1
InChIInChI=1S/C11H12N6O3/c1-14-6-8(4-12-14)15-3-2-10(11(15)18)16-7-9(5-13-16)17(19)20/h4-7,10H,2-3H2,1H3
InChIKeyFEEPOTSLFFKEKO-UHFFFAOYSA-N
MW276.26 g/mol
LogP0.50
Rot. Bonds3

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

1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one (PubChem CID 86771294) has the molecular formula C11H12N6O3 and a molecular weight of 276.26 g/mol. Its IUPAC name is 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one.

Molecular Properties

Compound Name1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one
PubChem CID86771294
Molecular FormulaC11H12N6O3
Molecular Weight276.26 g/mol
Exact Mass276.10
IUPAC Name1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one
SMILESCn1cc(N2CCC(n3cc([N+](=O)[O-])cn3)C2=O)cn1
InChIInChI=1S/C11H12N6O3/c1-14-6-8(4-12-14)15-3-2-10(11(15)18)16-7-9(5-13-16)17(19)20/h4-7,10H,2-3H2,1H3
InChIKeyFEEPOTSLFFKEKO-UHFFFAOYSA-N
XLogP0.50
TPSA99.09 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 50.50
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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Related Compounds

4-(4-nitro-1H-pyrazol-1-yl)-N-(propan-2-yl)butanamide
CID 1511617
4-(4-nitro-1H-pyrazol-1-yl)-1-(piperidin-1-yl)butan-1-one
CID 1512406
1H-Pyrazole-1-acetamide, N-[1-(1-methylethyl)-1H-pyrazol-4-yl]-4-nitro-
CID 1508995
2-(4-nitro-1H-pyrazol-1-yl)-1-(1H-pyrazol-1-yl)ethanone
CID 1503096
2-(4-nitro-1H-pyrazol-1-yl)-1-(pyrrolidin-1-yl)propan-1-one
CID 4916126
2-(4-nitropyrazol-1-yl)-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]butanamide
CID 19551817
3-[Methyl-[(4-nitropyrazol-1-yl)methyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 56788512
(3R)-3-[methyl-[(4-nitropyrazol-1-yl)methyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95623466
(3S)-3-[methyl-[(4-nitropyrazol-1-yl)methyl]amino]-1-(2,2,2-trifluoroethyl)pyrrolidin-2-one
CID 95623467
1-(4-iodo-1H-pyrazol-1-yl)-2-(4-nitro-1H-pyrazol-1-yl)ethanone
CID 1256486
4-bromo-1-[(4-nitro-1H-pyrazol-1-yl)acetyl]-1H-pyrazole
CID 1257243
4-(4-nitro-1H-pyrazol-1-yl)-1-(1H-pyrazol-1-yl)butan-1-one
CID 1503099

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one?
The IUPAC name of 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one (CID 86771294) is 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one.
What is the SMILES notation for 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one?
The canonical SMILES for 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one is Cn1cc(N2CCC(n3cc([N+](=O)[O-])cn3)C2=O)cn1.
What is the InChIKey of 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one?
The InChIKey is FEEPOTSLFFKEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N6O3/c1-14-6-8(4-12-14)15-3-2-10(11(15)18)16-7-9(5-13-16)17(19)20/h4-7,10H,2-3H2,1H3.
What are the key properties of 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one?
1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one has a molecular weight of 276.26 g/mol, XLogP of 0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylpyrazol-4-yl)-3-(4-nitropyrazol-1-yl)pyrrolidin-2-one is sourced from PubChem (CID 86771294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).