3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide

C22H20N4O4 — CID 29097609

IUPAC3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C22H20N4O4/c1-13(27)15-6-4-8-17(10-15)23-21(29)19-12-26(3)25-20(19)22(30)24-18-9-5-7-16(11-18)14(2)28/h4-12H,1-3H3,(H,23,29)(H,24,30)
InChIKeyPYGDNJOUGWOCKA-UHFFFAOYSA-N
MW404.43 g/mol
LogP3.33
Rot. Bonds6

About 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide

3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide (PubChem CID 29097609) has the molecular formula C22H20N4O4 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
PubChem CID29097609
Molecular FormulaC22H20N4O4
Molecular Weight404.43 g/mol
Exact Mass404.15
IUPAC Name3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
SMILESCC(=O)c1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C(C)=O)c2)c1
InChIInChI=1S/C22H20N4O4/c1-13(27)15-6-4-8-17(10-15)23-21(29)19-12-26(3)25-20(19)22(30)24-18-9-5-7-16(11-18)14(2)28/h4-12H,1-3H3,(H,23,29)(H,24,30)
InChIKeyPYGDNJOUGWOCKA-UHFFFAOYSA-N
XLogP3.33
TPSA110.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
N-(3-carbamothioylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 102801518
N-(3-acetylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 61059268
N-(3-acetylphenyl)-3-ethyl-1-methylpyrazole-5-carboxamide
CID 66120934
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498518
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
N-(3-acetylphenyl)-2-methylpyridine-3-carboxamide
CID 78950839
N-(3-acetylphenyl)-1-methyl-6-oxopyridine-3-carboxamide
CID 110693091
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
N-(3-fluorophenyl)-4-iodo-1-methylpyrazole-3-carboxamide
CID 5301133
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892

Frequently Asked Questions

What is the IUPAC name of 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide?
The IUPAC name of 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide (CID 29097609) is 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide.
What is the SMILES notation for 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide?
The canonical SMILES for 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide is CC(=O)c1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C(C)=O)c2)c1.
What is the InChIKey of 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide?
The InChIKey is PYGDNJOUGWOCKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O4/c1-13(27)15-6-4-8-17(10-15)23-21(29)19-12-26(3)25-20(19)22(30)24-18-9-5-7-16(11-18)14(2)28/h4-12H,1-3H3,(H,23,29)(H,24,30).
What are the key properties of 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide?
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide has a molecular weight of 404.43 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).