5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide

C20H21N3O4 — CID 110674174

IUPAC5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cc(OC)ccc3OC)n(C)n2)c1
InChIInChI=1S/C20H21N3O4/c1-23-18(16-11-15(26-3)8-9-19(16)27-4)12-17(22-23)20(24)21-13-6-5-7-14(10-13)25-2/h5-12H,1-4H3,(H,21,24)
InChIKeyMPLYXIMFPXXCPX-UHFFFAOYSA-N
MW367.41 g/mol
LogP3.37
Rot. Bonds6

About 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110674174) has the molecular formula C20H21N3O4 and a molecular weight of 367.41 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110674174
Molecular FormulaC20H21N3O4
Molecular Weight367.41 g/mol
Exact Mass367.15
IUPAC Name5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cccc(NC(=O)c2cc(-c3cc(OC)ccc3OC)n(C)n2)c1
InChIInChI=1S/C20H21N3O4/c1-23-18(16-11-15(26-3)8-9-19(16)27-4)12-17(22-23)20(24)21-13-6-5-7-14(10-13)25-2/h5-12H,1-4H3,(H,21,24)
InChIKeyMPLYXIMFPXXCPX-UHFFFAOYSA-N
XLogP3.37
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
N-(3-methoxyphenyl)-1,5-dimethylpyrazole-3-carboxamide
CID 19279593
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
N-(3-acetylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336411
N-(3-methoxyphenyl)-1-methyl-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 19267596
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 110336337
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 110674174) is 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cccc(NC(=O)c2cc(-c3cc(OC)ccc3OC)n(C)n2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is MPLYXIMFPXXCPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4/c1-23-18(16-11-15(26-3)8-9-19(16)27-4)12-17(22-23)20(24)21-13-6-5-7-14(10-13)25-2/h5-12H,1-4H3,(H,21,24).
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.37, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110674174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).