methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium

C7H11N4O4+ — CID 145428350

IUPACmethoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium
SMILESCON(C)C(=O)c1cc([N+](=O)OC)n[nH]1
InChIInChI=1S/C7H10N4O4/c1-10(14-2)7(12)5-4-6(9-8-5)11(13)15-3/h4H,1-3H3/p+1
InChIKeyBACWEDQMHBTDAX-UHFFFAOYSA-O
MW215.19 g/mol
LogP0.01
Rot. Bonds4

About methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium

methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium (PubChem CID 145428350) has the molecular formula C7H11N4O4+ and a molecular weight of 215.19 g/mol. Its IUPAC name is methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium.

Molecular Properties

Compound Namemethoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium
PubChem CID145428350
Molecular FormulaC7H11N4O4+
Molecular Weight215.19 g/mol
Exact Mass215.08
IUPAC Namemethoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium
SMILESCON(C)C(=O)c1cc([N+](=O)OC)n[nH]1
InChIInChI=1S/C7H10N4O4/c1-10(14-2)7(12)5-4-6(9-8-5)11(13)15-3/h4H,1-3H3/p+1
InChIKeyBACWEDQMHBTDAX-UHFFFAOYSA-O
XLogP0.01
TPSA87.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.19
LogP ≤ 50.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-N,6-dimethylpyrimidine-4-carboxamide
CID 121395327
N-methoxy-N-methyl-6-oxo-1H-pyridine-2-carboxamide
CID 103841018
N-methoxy-N-methyl-7-nitro-1H-indole-2-carboxamide
CID 47266467
ethane;N-methoxy-N-methyl-1H-indazole-3-carboxamide
CID 142077122
N,5-dimethoxy-N-methyl-1H-indole-2-carboxamide
CID 23003326
ethane;4-fluoro-N-methoxy-N-methylbenzamide;methanethiol
CID 143189438
N-methoxy-N,5-dimethyl-1,2-oxazole-3-carboxamide
CID 45099367
CID 59369486
CID 59369486
4,6-dichloro-N-methoxy-N-methyl-1H-indole-2-carboxamide
CID 23003586
5-bromo-3-hydroxy-N-methoxy-N-methylpyridine-2-carboxamide
CID 133061431
5,6-dichloro-N-methoxy-N,2-dimethylpyridine-3-carboxamide
CID 119054669
N-methoxy-N-methylpyrimidine-4-carboxamide
CID 53404830

Frequently Asked Questions

What is the IUPAC name of methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium?
The IUPAC name of methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium (CID 145428350) is methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium.
What is the SMILES notation for methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium?
The canonical SMILES for methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium is CON(C)C(=O)c1cc([N+](=O)OC)n[nH]1.
What is the InChIKey of methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium?
The InChIKey is BACWEDQMHBTDAX-UHFFFAOYSA-O. The full InChI is InChI=1S/C7H10N4O4/c1-10(14-2)7(12)5-4-6(9-8-5)11(13)15-3/h4H,1-3H3/p+1.
What are the key properties of methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium?
methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium has a molecular weight of 215.19 g/mol, XLogP of 0.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methoxy-[5-[methoxy(methyl)carbamoyl]-1H-pyrazol-3-yl]-oxoazanium is sourced from PubChem (CID 145428350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).