1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide

C12H16N6O3 — CID 86790322

IUPAC1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide
SMILESCCc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2CC)n[nH]1
InChIInChI=1S/C12H16N6O3/c1-4-8-6-9(15-14-8)13-12(19)11-10(18(20)21)7(3)16-17(11)5-2/h6H,4-5H2,1-3H3,(H2,13,14,15,19)
InChIKeyHRKPUUMRXOCZIU-UHFFFAOYSA-N
MW292.30 g/mol
LogP1.66
Rot. Bonds5

About 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide

1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide (PubChem CID 86790322) has the molecular formula C12H16N6O3 and a molecular weight of 292.30 g/mol. Its IUPAC name is 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide
PubChem CID86790322
Molecular FormulaC12H16N6O3
Molecular Weight292.30 g/mol
Exact Mass292.13
IUPAC Name1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide
SMILESCCc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2CC)n[nH]1
InChIInChI=1S/C12H16N6O3/c1-4-8-6-9(15-14-8)13-12(19)11-10(18(20)21)7(3)16-17(11)5-2/h6H,4-5H2,1-3H3,(H2,13,14,15,19)
InChIKeyHRKPUUMRXOCZIU-UHFFFAOYSA-N
XLogP1.66
TPSA118.74 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.30
LogP ≤ 51.66
H-Bond Donors ≤ 52
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

N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-5-nitrobenzamide
CID 47429735
3-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-5-nitrobenzamide
CID 115640654
1-ethyl-3-methyl-N-[5-(5-methylfuran-2-yl)-1H-1,2,4-triazol-3-yl]-4-nitropyrazole-5-carboxamide
CID 86790496
N-(5-ethyl-1H-pyrazol-3-yl)-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 112687120
N-(5-ethyl-1H-pyrazol-3-yl)-5-nitro-2-oxo-1H-pyridine-3-carboxamide
CID 115609335
N-(5-ethyl-1H-pyrazol-3-yl)-2H-triazole-4-carboxamide
CID 47423483
N-(5-ethyl-1H-pyrazol-3-yl)-1-methylimidazole-4-carboxamide
CID 103862758
4-amino-1-ethyl-N-(5-methyl-1H-pyrazol-3-yl)pyrazole-5-carboxamide
CID 65358870
N-(5-ethyl-1H-pyrazol-3-yl)-2-methoxy-4-nitrobenzamide
CID 104783753
(5-ethyl-1H-pyrazol-3-yl)urea
CID 104620406
2-chloro-N-(5-ethyl-1H-pyrazol-3-yl)-4-methylbenzamide
CID 106512250
2-bromo-N-(5-ethyl-1H-pyrazol-3-yl)-5-methylbenzamide
CID 113259455

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide?
The IUPAC name of 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide (CID 86790322) is 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide is CCc1cc(NC(=O)c2c([N+](=O)[O-])c(C)nn2CC)n[nH]1.
What is the InChIKey of 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide?
The InChIKey is HRKPUUMRXOCZIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O3/c1-4-8-6-9(15-14-8)13-12(19)11-10(18(20)21)7(3)16-17(11)5-2/h6H,4-5H2,1-3H3,(H2,13,14,15,19).
What are the key properties of 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide?
1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide has a molecular weight of 292.30 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-ethyl-1H-pyrazol-3-yl)-3-methyl-4-nitropyrazole-5-carboxamide is sourced from PubChem (CID 86790322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).