N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide

C21H22N4O4 — CID 68956095

IUPACN-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide
SMILESCOc1ccc(NC(=O)C(=O)N(C)c2ccccc2)cc1-c1c(OC)cnn1C
InChIInChI=1S/C21H22N4O4/c1-24(15-8-6-5-7-9-15)21(27)20(26)23-14-10-11-17(28-3)16(12-14)19-18(29-4)13-22-25(19)2/h5-13H,1-4H3,(H,23,26)
InChIKeyIBEJJNBTCHFPPW-UHFFFAOYSA-N
MW394.43 g/mol
LogP2.71
Rot. Bonds5

About N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide

N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide (PubChem CID 68956095) has the molecular formula C21H22N4O4 and a molecular weight of 394.43 g/mol. Its IUPAC name is N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide
PubChem CID68956095
Molecular FormulaC21H22N4O4
Molecular Weight394.43 g/mol
Exact Mass394.16
IUPAC NameN-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide
SMILESCOc1ccc(NC(=O)C(=O)N(C)c2ccccc2)cc1-c1c(OC)cnn1C
InChIInChI=1S/C21H22N4O4/c1-24(15-8-6-5-7-9-15)21(27)20(26)23-14-10-11-17(28-3)16(12-14)19-18(29-4)13-22-25(19)2/h5-13H,1-4H3,(H,23,26)
InChIKeyIBEJJNBTCHFPPW-UHFFFAOYSA-N
XLogP2.71
TPSA85.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.43
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[benzyl(methyl)amino]-N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]acetamide
CID 24815737
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-naphthalen-2-ylurea
CID 11775306
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2-fluorophenyl)urea
CID 11545269
N-(3-chloro-4-methoxyphenyl)-N'-(4-hydroxyphenyl)-N'-methyloxamide
CID 108501242
1-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(3-methylphenyl)urea
CID 137492363
N-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-(4-phenylpiperazin-1-yl)acetamide
CID 24816181
1-[3-(4-fluoro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 11654406
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-(2,4-difluorophenyl)urea
CID 11675550
N-(4-chloro-2-methoxy-5-methylphenyl)-N'-methyl-N'-phenyloxamide
CID 108521016
N-[3-(4-bromo-1-methylpyrazol-5-yl)-4-methoxyphenyl]-2-[(3,5-difluorophenyl)methylamino]acetamide
CID 24816104
1-[3-(4-chloro-1-methylpyrazol-5-yl)-4-methoxyphenyl]-3-[4-chloro-2-(trifluoromethyl)phenyl]urea
CID 11648252
1-[3-[4-chloro-2-methyl-5-(trifluoromethyl)pyrazol-3-yl]-4-methoxyphenyl]-3-(4-chlorophenyl)urea
CID 11583429

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide?
The IUPAC name of N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide (CID 68956095) is N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide.
What is the SMILES notation for N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide?
The canonical SMILES for N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide is COc1ccc(NC(=O)C(=O)N(C)c2ccccc2)cc1-c1c(OC)cnn1C.
What is the InChIKey of N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide?
The InChIKey is IBEJJNBTCHFPPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O4/c1-24(15-8-6-5-7-9-15)21(27)20(26)23-14-10-11-17(28-3)16(12-14)19-18(29-4)13-22-25(19)2/h5-13H,1-4H3,(H,23,26).
What are the key properties of N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide?
N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide has a molecular weight of 394.43 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(4-methoxy-1-methylpyrazol-5-yl)phenyl]-N'-methyl-N'-phenyloxamide is sourced from PubChem (CID 68956095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).