3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

C20H20N4O4 — CID 659446

IUPAC3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)n(C)n2)c1
InChIInChI=1S/C20H20N4O4/c1-24-18(20(26)22-14-7-5-9-16(11-14)28-3)12-17(23-24)19(25)21-13-6-4-8-15(10-13)27-2/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyASSUGSCCOQZUDI-UHFFFAOYSA-N
MW380.40 g/mol
LogP2.94
Rot. Bonds6

About 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide

3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (PubChem CID 659446) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
PubChem CID659446
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC Name3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide
SMILESCOc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)n(C)n2)c1
InChIInChI=1S/C20H20N4O4/c1-24-18(20(26)22-14-7-5-9-16(11-14)28-3)12-17(23-24)19(25)21-13-6-4-8-15(10-13)27-2/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyASSUGSCCOQZUDI-UHFFFAOYSA-N
XLogP2.94
TPSA94.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-methoxybenzyl)-3-methyl-1-phenyl-1H-pyrazole-5-carboxamide
CID 5015296
4-bromo-N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 708257
N-(3-methoxyphenyl)-1-methyl-1H-pyrazole-3-carboxamide
CID 903366
Cfm-1571
CID 9844347
1-Cyclobutyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10592156
1-Cyclopentyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10593194
1-Cyclohexyl-3-ethyl-6-(3-methoxyphenyl)-4,5-dihydropyrazolo[3,4-c]pyridin-7-one
CID 10689417
N,N'-bis(3-methoxyphenyl)-1-methyl-4-nitro-1H-pyrazole-3,5-dicarboxamide
CID 1166415
3-cyclopropyl-N-[2-(3-methoxyanilino)-2-oxoethyl]-N-methyl-1-phenylpyrazole-5-carboxamide
CID 9120568
N-(3,4-dimethoxyphenyl)-2-(3,4-dimethyl-7-oxo-2-phenyl-2,7-dihydro-6H-pyrazolo[3,4-d]pyridazin-6-yl)acetamide
CID 16022716
5-methyl-N-[3-(trifluoromethoxy)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-3-carboxamide
CID 44313596
N-isopropyl-5-(4-methoxybenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxamide
CID 1489927

Frequently Asked Questions

What is the IUPAC name of 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The IUPAC name of 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide (CID 659446) is 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide.
What is the SMILES notation for 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The canonical SMILES for 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is COc1cccc(NC(=O)c2cc(C(=O)Nc3cccc(OC)c3)n(C)n2)c1.
What is the InChIKey of 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
The InChIKey is ASSUGSCCOQZUDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O4/c1-24-18(20(26)22-14-7-5-9-16(11-14)28-3)12-17(23-24)19(25)21-13-6-4-8-15(10-13)27-2/h4-12H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide?
3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide has a molecular weight of 380.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,5-N-bis(3-methoxyphenyl)-1-methylpyrazole-3,5-dicarboxamide is sourced from PubChem (CID 659446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).