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

C17H22N4O4 — CID 121092095

IUPAC3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)CN(C)C(=O)c1cn(C)nc1OC
InChIInChI=1S/C17H22N4O4/c1-20(17(23)13-10-21(2)19-16(13)25-4)11-15(22)18-9-12-7-5-6-8-14(12)24-3/h5-8,10H,9,11H2,1-4H3,(H,18,22)
InChIKeyBXAGDLINWDZFQR-UHFFFAOYSA-N
MW346.39 g/mol
LogP0.83
Rot. Bonds7

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

3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 121092095) has the molecular formula C17H22N4O4 and a molecular weight of 346.39 g/mol. Its IUPAC name is 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound Name3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
PubChem CID121092095
Molecular FormulaC17H22N4O4
Molecular Weight346.39 g/mol
Exact Mass346.16
IUPAC Name3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
SMILESCOc1ccccc1CNC(=O)CN(C)C(=O)c1cn(C)nc1OC
InChIInChI=1S/C17H22N4O4/c1-20(17(23)13-10-21(2)19-16(13)25-4)11-15(22)18-9-12-7-5-6-8-14(12)24-3/h5-8,10H,9,11H2,1-4H3,(H,18,22)
InChIKeyBXAGDLINWDZFQR-UHFFFAOYSA-N
XLogP0.83
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 50.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-methoxy-N,1-dimethyl-N-[2-oxo-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methylamino]ethyl]pyrazole-4-carboxamide
CID 121092039
3-methoxy-N-[2-(3-methoxypropylamino)-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide
CID 121092078
N-[2-(3-chloro-4-methoxyanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092232
3-methoxy-N,1-dimethyl-N-[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl]pyrazole-4-carboxamide
CID 121092281
3-methoxy-N-[4-[(2-methoxyphenyl)methylcarbamoyl]phenyl]-1-methylpyrazole-4-carboxamide
CID 121079815
N-[2-[4-(dimethylamino)anilino]-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092143
3-methoxy-N,1-dimethyl-N-[2-[(3-methyl-2-pyridinyl)amino]-2-oxoethyl]pyrazole-4-carboxamide
CID 121092202
N-[2-(3-fluoro-4-methylanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092184
2-[2-hydroxypropyl(methyl)amino]-N-[(2-methoxyphenyl)methyl]acetamide
CID 62334688
2-[(2-methoxyphenyl)methylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 108996645
3-methoxy-N,1-dimethyl-N-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]pyrazole-4-carboxamide
CID 121092061
N-[2-(4-bromo-2-fluoroanilino)-2-oxoethyl]-3-methoxy-N,1-dimethylpyrazole-4-carboxamide
CID 121092168

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The IUPAC name of 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide (CID 121092095) is 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The canonical SMILES for 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide is COc1ccccc1CNC(=O)CN(C)C(=O)c1cn(C)nc1OC.
What is the InChIKey of 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
The InChIKey is BXAGDLINWDZFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4/c1-20(17(23)13-10-21(2)19-16(13)25-4)11-15(22)18-9-12-7-5-6-8-14(12)24-3/h5-8,10H,9,11H2,1-4H3,(H,18,22).
What are the key properties of 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide?
3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 346.39 g/mol, XLogP of 0.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-N-[2-[(2-methoxyphenyl)methylamino]-2-oxoethyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 121092095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).