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

1-(1-methylpyrazol-3-yl)-3-(4-nitropyrazol-1-yl)piperidin-2-one
CID 91660041
3-(5-bromo-4-methyl-3,6-dihydro-2H-pyridin-1-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 122139738
1-(2,3-dihydro-1H-inden-1-yl)-4-nitropyrazole
CID 153285823
(7aR)-7a-methyl-2-[(3S)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 124883512
(7aS)-7a-methyl-2-[(3R)-1-(1-methylpyrazol-4-yl)-2-oxopyrrolidin-3-yl]-6,7-dihydro-5H-pyrrolo[1,2-c]imidazole-1,3-dione
CID 124883503
1-(1-methylpyrazol-4-yl)-3-phenylpyrrolidin-2-one
CID 175939798
1-(cyclopropylmethyl)-4-(4-nitropyrazol-1-yl)piperidine
CID 155280191
3-[3-(hydroxymethyl)pyrrolidin-1-yl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
CID 111543883
(3S)-3-(6-chloro-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 124623973
(3R,4S)-3-methyl-4-(4-nitropyrazol-1-yl)-1-(oxetan-3-yl)piperidine
CID 162748013
tert-butyl 3-(4-nitropyrazol-1-yl)-4-oxopiperidine-1-carboxylate
CID 118288827
(3S)-3-(7-tert-butyl-3,4-dihydro-1H-isoquinolin-2-yl)-1-(1-methylpyrazol-4-yl)pyrrolidin-2-one
CID 99820800

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).