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

C12H18N4O4 — CID 51390208

IUPAC1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C12H18N4O4/c1-3-15-11(9(7-13-15)16(18)19)12(17)14-8(2)10-5-4-6-20-10/h7-8,10H,3-6H2,1-2H3,(H,14,17)/t8-,10-/m1/s1
InChIKeyLYJQSYDBFJAZPH-PSASIEDQSA-N
MW282.30 g/mol
LogP1.11
Rot. Bonds5

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

1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide (PubChem CID 51390208) has the molecular formula C12H18N4O4 and a molecular weight of 282.30 g/mol. Its IUPAC name is 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
PubChem CID51390208
Molecular FormulaC12H18N4O4
Molecular Weight282.30 g/mol
Exact Mass282.13
IUPAC Name1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCCO1
InChIInChI=1S/C12H18N4O4/c1-3-15-11(9(7-13-15)16(18)19)12(17)14-8(2)10-5-4-6-20-10/h7-8,10H,3-6H2,1-2H3,(H,14,17)/t8-,10-/m1/s1
InChIKeyLYJQSYDBFJAZPH-PSASIEDQSA-N
XLogP1.11
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.11
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-methyl-4-nitro-N-[1-(oxolan-2-yl)ethyl]pyrazole-5-carboxamide
CID 4769963
2-ethyl-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390415
2-ethyl-N-[(1S)-1-[(2S)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390417
1-methyl-4-nitro-N-[(1S)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-3-carboxamide
CID 51390109
1-ethyl-N-[(2S)-1-morpholin-4-ylpropan-2-yl]-4-nitropyrazole-5-carboxamide
CID 51616577
1-ethyl-N-(2-methylpropyl)-4-nitropyrazole-5-carboxamide
CID 19476369
4-methyl-3-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]benzamide
CID 35226421
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
4-amino-3-chloro-5-nitro-N-[1-(oxolan-2-yl)ethyl]benzamide
CID 62154118
methyl 2-[(1-ethyl-4-nitropyrazole-5-carbonyl)amino]acetate
CID 19476462

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide (CID 51390208) is 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide is CCn1ncc([N+](=O)[O-])c1C(=O)N[C@H](C)[C@H]1CCCO1.
What is the InChIKey of 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide?
The InChIKey is LYJQSYDBFJAZPH-PSASIEDQSA-N. The full InChI is InChI=1S/C12H18N4O4/c1-3-15-11(9(7-13-15)16(18)19)12(17)14-8(2)10-5-4-6-20-10/h7-8,10H,3-6H2,1-2H3,(H,14,17)/t8-,10-/m1/s1.
What are the key properties of 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide?
1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide has a molecular weight of 282.30 g/mol, XLogP of 1.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-4-nitro-N-[(1R)-1-[(2R)-oxolan-2-yl]ethyl]pyrazole-5-carboxamide is sourced from PubChem (CID 51390208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).