2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide

C9H12N4O4 — CID 19516177

IUPAC2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C9H12N4O4/c1-3-4-10-8(14)6-12-5-7(13(15)16)9(11-12)17-2/h3,5H,1,4,6H2,2H3,(H,10,14)
InChIKeyWVYZWXXTNSYXHI-UHFFFAOYSA-N
MW240.22 g/mol
LogP0.10
Rot. Bonds6

About 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide

2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide (PubChem CID 19516177) has the molecular formula C9H12N4O4 and a molecular weight of 240.22 g/mol. Its IUPAC name is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
PubChem CID19516177
Molecular FormulaC9H12N4O4
Molecular Weight240.22 g/mol
Exact Mass240.09
IUPAC Name2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide
SMILESC=CCNC(=O)Cn1cc([N+](=O)[O-])c(OC)n1
InChIInChI=1S/C9H12N4O4/c1-3-4-10-8(14)6-12-5-7(13(15)16)9(11-12)17-2/h3,5H,1,4,6H2,2H3,(H,10,14)
InChIKeyWVYZWXXTNSYXHI-UHFFFAOYSA-N
XLogP0.10
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.22
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylpropanamide
CID 19528144
2-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylacetamide
CID 19516269
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(2-nitrophenyl)acetamide
CID 19516309
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-3,5-dinitrophenyl)acetamide
CID 19516344
N-[3-(4,5-dichloro-3-methylpyrazol-1-yl)propyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516434
2-(3-methoxy-4-nitropyrazol-1-yl)-N-(4-methyl-2-nitrophenyl)acetamide
CID 19516200
1-ethyl-3-methoxy-4-nitropyrazole
CID 163333241
3-(3-methoxy-4-nitropyrazol-1-yl)propanehydrazide
CID 7018447
2-(4-bromo-3-methylpyrazol-1-yl)-N-prop-2-enylacetamide
CID 19517100
3-(3-methoxy-4-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
CID 19558098
N-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]-2-(3-methoxy-4-nitropyrazol-1-yl)acetamide
CID 19516242
4-[[2-(3-methoxy-4-nitropyrazol-1-yl)acetyl]amino]-1-methyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-5-carboxamide
CID 19516421

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide?
The IUPAC name of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide (CID 19516177) is 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide.
What is the SMILES notation for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide?
The canonical SMILES for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide is C=CCNC(=O)Cn1cc([N+](=O)[O-])c(OC)n1.
What is the InChIKey of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide?
The InChIKey is WVYZWXXTNSYXHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O4/c1-3-4-10-8(14)6-12-5-7(13(15)16)9(11-12)17-2/h3,5H,1,4,6H2,2H3,(H,10,14).
What are the key properties of 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide?
2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide has a molecular weight of 240.22 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methoxy-4-nitropyrazol-1-yl)-N-prop-2-enylacetamide is sourced from PubChem (CID 19516177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).