N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide

C21H23N3O4 — CID 110336792

IUPACN-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(C)ccc3OC)n(C)n2)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-13-6-9-19(27-4)15(10-13)18-12-17(23-24(18)2)21(25)22-16-8-7-14(26-3)11-20(16)28-5/h6-12H,1-5H3,(H,22,25)
InChIKeyWLCJOKZFZURBGG-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.67
Rot. Bonds6

About N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide

N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 110336792) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID110336792
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC NameN-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1ccc(NC(=O)c2cc(-c3cc(C)ccc3OC)n(C)n2)c(OC)c1
InChIInChI=1S/C21H23N3O4/c1-13-6-9-19(27-4)15(10-13)18-12-17(23-24(18)2)21(25)22-16-8-7-14(26-3)11-20(16)28-5/h6-12H,1-5H3,(H,22,25)
InChIKeyWLCJOKZFZURBGG-UHFFFAOYSA-N
XLogP3.67
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.67
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
N-(2-cyanophenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271392
5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(2-methoxy-5-methylphenyl)-5-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336407
5-(2-methoxy-5-methylphenyl)-1-methyl-N-propylpyrazole-3-carboxamide
CID 110336742
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271659
5-(2-methoxy-5-methylphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 110336747
N-(2,4-dimethoxyphenyl)-4-methylpyridine-2-carboxamide
CID 110860588
5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
2-[5-(2-methoxy-5-methylphenyl)-1-methylpyrazol-3-yl]acetic acid
CID 82484421

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide (CID 110336792) is N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide is COc1ccc(NC(=O)c2cc(-c3cc(C)ccc3OC)n(C)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is WLCJOKZFZURBGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-13-6-9-19(27-4)15(10-13)18-12-17(23-24(18)2)21(25)22-16-8-7-14(26-3)11-20(16)28-5/h6-12H,1-5H3,(H,22,25).
What are the key properties of N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide?
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 381.43 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 110336792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).