5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide

C21H23N3O5 — CID 110336337

IUPAC5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)nn2C)cc1
InChIInChI=1S/C21H23N3O5/c1-24-17(13-6-8-15(26-2)9-7-13)12-16(23-24)21(25)22-14-10-18(27-3)20(29-5)19(11-14)28-4/h6-12H,1-5H3,(H,22,25)
InChIKeyJTQICKPECOASAF-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.37
Rot. Bonds7

About 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide

5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide (PubChem CID 110336337) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide.

Molecular Properties

Compound Name5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
PubChem CID110336337
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
SMILESCOc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)nn2C)cc1
InChIInChI=1S/C21H23N3O5/c1-24-17(13-6-8-15(26-2)9-7-13)12-16(23-24)21(25)22-14-10-18(27-3)20(29-5)19(11-14)28-4/h6-12H,1-5H3,(H,22,25)
InChIKeyJTQICKPECOASAF-UHFFFAOYSA-N
XLogP3.37
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzodioxol-5-yl)-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336333
N-tert-butyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336303
N-(3,4-dimethoxyphenyl)-5-(3,4-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 110299497
5-(1,3-benzodioxol-5-yl)-N-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336889
5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxylate
CID 7219874
4-methoxy-N-(3,4,5-trimethoxyphenyl)benzamide
CID 4198373
1-methyl-5-(trifluoromethyl)-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide
CID 46270511
5-(2,5-dimethoxyphenyl)-N-(3-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110674174
5-(2,5-dimethoxyphenyl)-N-(4-fluorophenyl)-1-methylpyrazole-3-carboxamide
CID 110674172
5-(4-methoxyphenyl)-1-methyl-N-[(1S)-1-phenylethyl]pyrazole-3-carboxamide
CID 93013913
5-(4-methoxyphenyl)-1-methyl-N-(1-phenylethyl)pyrazole-3-carboxamide
CID 46104570
N,N-diethyl-5-(4-methoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 110336301

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
The IUPAC name of 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide (CID 110336337) is 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide.
What is the SMILES notation for 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
The canonical SMILES for 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide is COc1ccc(-c2cc(C(=O)Nc3cc(OC)c(OC)c(OC)c3)nn2C)cc1.
What is the InChIKey of 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
The InChIKey is JTQICKPECOASAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-24-17(13-6-8-15(26-2)9-7-13)12-16(23-24)21(25)22-14-10-18(27-3)20(29-5)19(11-14)28-4/h6-12H,1-5H3,(H,22,25).
What are the key properties of 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide?
5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide has a molecular weight of 397.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxyphenyl)-1-methyl-N-(3,4,5-trimethoxyphenyl)pyrazole-3-carboxamide is sourced from PubChem (CID 110336337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).