3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide

C13H22N4O4 — CID 121092078

IUPAC3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cn(C)nc1OC
InChIInChI=1S/C13H22N4O4/c1-16(9-11(18)14-6-5-7-20-3)13(19)10-8-17(2)15-12(10)21-4/h8H,5-7,9H2,1-4H3,(H,14,18)
InChIKeyUGOASMVZDDMEEO-UHFFFAOYSA-N
MW298.34 g/mol
LogP-0.35
Rot. Bonds8

About 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide

3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 121092078) has the molecular formula C13H22N4O4 and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID121092078
Molecular FormulaC13H22N4O4
Molecular Weight298.34 g/mol
Exact Mass298.16
IUPAC Name3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOCCCNC(=O)CN(C)C(=O)c1cn(C)nc1OC
InChIInChI=1S/C13H22N4O4/c1-16(9-11(18)14-6-5-7-20-3)13(19)10-8-17(2)15-12(10)21-4/h8H,5-7,9H2,1-4H3,(H,14,18)
InChIKeyUGOASMVZDDMEEO-UHFFFAOYSA-N
XLogP-0.35
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 5-0.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-amino-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-3-carboxamide
CID 65354607
3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 121092281
N-[2-(3,5-dimethylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092174
2-chloro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylbenzamide
CID 51307796
3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092095
N-[2-(4-cyanoanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092285
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092184
3-methoxy-1-methyl-N-[2-oxo-2-(3-propan-2-yloxypropylamino)ethyl]pyrazole-4-carboxamide
CID 121091838
N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,2,5-trimethylthiophene-3-carboxamide
CID 51095007
4-bromo-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrrole-2-carboxamide
CID 60956041
2,3-difluoro-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N-methylpyridine-4-carboxamide
CID 105380806
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092232

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide (CID 121092078) is 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide is COCCCNC(=O)CN(C)C(=O)c1cn(C)nc1OC.
What is the InChIKey of 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is UGOASMVZDDMEEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O4/c1-16(9-11(18)14-6-5-7-20-3)13(19)10-8-17(2)15-12(10)21-4/h8H,5-7,9H2,1-4H3,(H,14,18).
What are the key properties of 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 298.34 g/mol, XLogP of -0.35, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 121092078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).