1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide

C11H16N4O4 — CID 4769963

IUPAC1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1c([N+](=O)[O-])cnn1C)C1CCCO1
InChIInChI=1S/C11H16N4O4/c1-7(9-4-3-5-19-9)13-11(16)10-8(15(17)18)6-12-14(10)2/h6-7,9H,3-5H2,1-2H3,(H,13,16)
InChIKeyWLECMVOEFTVVIY-UHFFFAOYSA-N
MW268.27 g/mol
LogP0.63
Rot. Bonds4

About 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide

1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide (PubChem CID 4769963) has the molecular formula C11H16N4O4 and a molecular weight of 268.27 g/mol. Its IUPAC name is 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
PubChem CID4769963
Molecular FormulaC11H16N4O4
Molecular Weight268.27 g/mol
Exact Mass268.12
IUPAC Name1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
SMILESCC(NC(=O)c1c([N+](=O)[O-])cnn1C)C1CCCO1
InChIInChI=1S/C11H16N4O4/c1-7(9-4-3-5-19-9)13-11(16)10-8(15(17)18)6-12-14(10)2/h6-7,9H,3-5H2,1-2H3,(H,13,16)
InChIKeyWLECMVOEFTVVIY-UHFFFAOYSA-N
XLogP0.63
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
CID 51390208
1-methyl-4-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390109
N-[(1R)-1-[(1R,2S,4R)-2-bicyclo[2.2.1]heptanyl]ethyl]-1-methyl-4-nitropyrazole-5-carboxamide
CID 98219945
4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 35226421
4-amino-3-chloro-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62154118
4-bromo-3-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 51683131
3-(methylamino)-4-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62682287
3-hydrazinyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62680373
N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-5-carboxamide
CID 35247874
1,3-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-4-carboxamide
CID 51390176
1-methyl-N-morpholin-4-yl-4-nitropyrazole-5-carboxamide
CID 4767952
3,5-dimethyl-N-[(1R)-1-[(2S)-oxolan-2-yl]ethyl]benzamide
CID 27233431

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide (CID 4769963) is 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide is CC(NC(=O)c1c([N+](=O)[O-])cnn1C)C1CCCO1.
What is the InChIKey of 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
The InChIKey is WLECMVOEFTVVIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O4/c1-7(9-4-3-5-19-9)13-11(16)10-8(15(17)18)6-12-14(10)2/h6-7,9H,3-5H2,1-2H3,(H,13,16).
What are the key properties of 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide?
1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide has a molecular weight of 268.27 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 4769963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).