N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide

C12H16N6O4 — CID 19530708

IUPACN-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCCOCn1cc(NC(=O)Cn2nc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H16N6O4/c1-3-22-8-16-6-10(5-13-16)14-11(19)7-17-12(18(20)21)4-9(2)15-17/h4-6H,3,7-8H2,1-2H3,(H,14,19)
InChIKeyCHQJEGYZTYEVJO-UHFFFAOYSA-N
MW308.30 g/mol
LogP0.93
Rot. Bonds7

About N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide

N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (PubChem CID 19530708) has the molecular formula C12H16N6O4 and a molecular weight of 308.30 g/mol. Its IUPAC name is N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
PubChem CID19530708
Molecular FormulaC12H16N6O4
Molecular Weight308.30 g/mol
Exact Mass308.12
IUPAC NameN-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
SMILESCCOCn1cc(NC(=O)Cn2nc(C)cc2[N+](=O)[O-])cn1
InChIInChI=1S/C12H16N6O4/c1-3-22-8-16-6-10(5-13-16)14-11(19)7-17-12(18(20)21)4-9(2)15-17/h4-6H,3,7-8H2,1-2H3,(H,14,19)
InChIKeyCHQJEGYZTYEVJO-UHFFFAOYSA-N
XLogP0.93
TPSA117.11 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.30
LogP ≤ 50.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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

2-[5-(difluoromethyl)-3-methylpyrazol-1-yl]-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19516744
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-[3-methyl-5-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 19522054
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19529803
2-(3-methyl-5-nitropyrazol-1-yl)-N-[1-(naphthalen-1-ylmethyl)pyrazol-4-yl]acetamide
CID 19530524
N-[1-[(2-chloro-4-fluorophenyl)methyl]pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530592
N-(4-methyl-3,5-dinitrophenyl)-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530615
dimethyl 5-[[2-(3-methyl-5-nitropyrazol-1-yl)acetyl]amino]benzene-1,3-dicarboxylate
CID 19530422
N-[1-(ethoxymethyl)pyrazol-4-yl]-3,5-dinitrobenzamide
CID 19340493
2-(4-chloropyrazol-1-yl)-N-[1-(ethoxymethyl)pyrazol-4-yl]acetamide
CID 19525078
2-[2-[[1-(ethoxymethyl)pyrazol-4-yl]amino]-2-oxoethyl]pyrazole-3-carboxylic acid
CID 19485687
N-[1-(ethoxymethyl)pyrazol-4-yl]-3-(3-nitropyrazol-1-yl)propanamide
CID 19566063
N-[4-(difluoromethoxy)-3-ethoxyphenyl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide
CID 19530659

Frequently Asked Questions

What is the IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide (CID 19530708) is N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is CCOCn1cc(NC(=O)Cn2nc(C)cc2[N+](=O)[O-])cn1.
What is the InChIKey of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
The InChIKey is CHQJEGYZTYEVJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N6O4/c1-3-22-8-16-6-10(5-13-16)14-11(19)7-17-12(18(20)21)4-9(2)15-17/h4-6H,3,7-8H2,1-2H3,(H,14,19).
What are the key properties of N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide?
N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide has a molecular weight of 308.30 g/mol, XLogP of 0.93, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(ethoxymethyl)pyrazol-4-yl]-2-(3-methyl-5-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19530708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).