N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

C20H19F2N3O4 — CID 90271659

IUPACN-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(F)c(NC(=O)c2cc(-c3cc(OC)ccc3OC)n(C)n2)c(F)c1
InChIInChI=1S/C20H19F2N3O4/c1-25-17(13-7-11(27-2)5-6-18(13)29-4)10-16(24-25)20(26)23-19-14(21)8-12(28-3)9-15(19)22/h5-10H,1-4H3,(H,23,26)
InChIKeyCQBDOGONYJSRRG-UHFFFAOYSA-N
MW403.39 g/mol
LogP3.64
Rot. Bonds6

About N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide

N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (PubChem CID 90271659) has the molecular formula C20H19F2N3O4 and a molecular weight of 403.39 g/mol. Its IUPAC name is N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.

Molecular Properties

Compound NameN-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
PubChem CID90271659
Molecular FormulaC20H19F2N3O4
Molecular Weight403.39 g/mol
Exact Mass403.13
IUPAC NameN-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
SMILESCOc1cc(F)c(NC(=O)c2cc(-c3cc(OC)ccc3OC)n(C)n2)c(F)c1
InChIInChI=1S/C20H19F2N3O4/c1-25-17(13-7-11(27-2)5-6-18(13)29-4)10-16(24-25)20(26)23-19-14(21)8-12(28-3)9-15(19)22/h5-10H,1-4H3,(H,23,26)
InChIKeyCQBDOGONYJSRRG-UHFFFAOYSA-N
XLogP3.64
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.39
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-(2-fluoro-6-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 90271607
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
N-(2,6-difluorophenyl)-5-(2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271579
5-(2,5-dimethoxyphenyl)-1-methyl-N-(5-methyl-1,2-oxazol-3-yl)pyrazole-3-carboxamide
CID 110674187
N-(2,4-dimethoxyphenyl)-5-(2-methoxy-5-methylphenyl)-1-methylpyrazole-3-carboxamide
CID 110336792
5-(2-methoxy-5-methylphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336789
5-(2-fluoro-4-methoxyphenyl)-1-methyl-N-(2-methylpropyl)pyrazole-3-carboxamide
CID 46105032
4-amino-N-(2,6-difluorophenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 90271577
ethyl 5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 42878869
N-cyclohexyl-5-(2-fluoro-4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 46171275
N-(2-cyanophenyl)-5-(5-fluoro-2-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110676242

Frequently Asked Questions

What is the IUPAC name of N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The IUPAC name of N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide (CID 90271659) is N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide.
What is the SMILES notation for N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The canonical SMILES for N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is COc1cc(F)c(NC(=O)c2cc(-c3cc(OC)ccc3OC)n(C)n2)c(F)c1.
What is the InChIKey of N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
The InChIKey is CQBDOGONYJSRRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N3O4/c1-25-17(13-7-11(27-2)5-6-18(13)29-4)10-16(24-25)20(26)23-19-14(21)8-12(28-3)9-15(19)22/h5-10H,1-4H3,(H,23,26).
What are the key properties of N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide?
N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide has a molecular weight of 403.39 g/mol, XLogP of 3.64, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-difluoro-4-methoxyphenyl)-5-(2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide is sourced from PubChem (CID 90271659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).