2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide

C12H14N4O4 — CID 824605

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccco2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O4/c1-8-12(16(18)19)9(2)15(14-8)7-11(17)13-6-10-4-3-5-20-10/h3-5H,6-7H2,1-2H3,(H,13,17)
InChIKeyFSUNZGBUQJVTKZ-UHFFFAOYSA-N
MW278.27 g/mol
LogP1.32
Rot. Bonds5

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide (PubChem CID 824605) has the molecular formula C12H14N4O4 and a molecular weight of 278.27 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
PubChem CID824605
Molecular FormulaC12H14N4O4
Molecular Weight278.27 g/mol
Exact Mass278.10
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
SMILESCc1nn(CC(=O)NCc2ccco2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C12H14N4O4/c1-8-12(16(18)19)9(2)15(14-8)7-11(17)13-6-10-4-3-5-20-10/h3-5H,6-7H2,1-2H3,(H,13,17)
InChIKeyFSUNZGBUQJVTKZ-UHFFFAOYSA-N
XLogP1.32
TPSA103.20 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.27
LogP ≤ 51.32
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

N-(furan-2-ylmethyl)-1-methyl-4-nitro-1H-pyrazole-3-carboxamide
CID 712057
N-(furan-2-ylmethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 2983956
N-(2-furylmethyl)-2-(4-nitro-1H-pyrazol-1-yl)propanamide
CID 4918403
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)ethyl]furan-2-carboxamide
CID 6499777
n-(3-(3,5-Dimethyl-1h-pyrazol-1-yl)propyl)furan-2-carboxamide
CID 19293679
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide
CID 749070
1-({1-ethyl-4-nitro-1H-pyrazol-3-yl}carbonyl)-4-(2-furoyl)piperazine
CID 844713
[5-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-furanyl]-[5-hydroxy-3-methyl-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
CID 5152527
4-nitro-3,5-dimethyl-1-{[5-(1-pyrrolidinylcarbonyl)-2-furyl]methyl}-1H-pyrazole
CID 5077587
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-[(E)-(5-methylfuran-2-yl)methylideneamino]acetamide
CID 6869785
N-(furan-2-ylmethyl)-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 742286
1-(2-furoyl)-4-[5-({4-nitro-3,5-dimethyl-1H-pyrazol-1-yl}methyl)-2-furoyl]piperazine
CID 1000981

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide (CID 824605) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide is Cc1nn(CC(=O)NCc2ccco2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
The InChIKey is FSUNZGBUQJVTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O4/c1-8-12(16(18)19)9(2)15(14-8)7-11(17)13-6-10-4-3-5-20-10/h3-5H,6-7H2,1-2H3,(H,13,17).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide has a molecular weight of 278.27 g/mol, XLogP of 1.32, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 824605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).