1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide

C20H20N4O2 — CID 29097610

IUPAC1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-8-15(9-5-13)21-19(25)17-12-24(3)23-18(17)20(26)22-16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyIHEFFUQRNVCLNW-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds4

About 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide

1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide (PubChem CID 29097610) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
PubChem CID29097610
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
SMILESCc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(C)cc2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-8-15(9-5-13)21-19(25)17-12-24(3)23-18(17)20(26)22-16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyIHEFFUQRNVCLNW-UHFFFAOYSA-N
XLogP3.54
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.41
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097602
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498518
3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
1-methyl-3-[(4-propan-2-ylphenyl)carbamoyl]pyrazole-4-carboxylic acid
CID 19496540
N-(4-hydroxyphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285310
N-(4-fluorophenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 45285306
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
N-[4-(hydroxymethyl)phenyl]-1,3-dimethylpyrazole-4-carboxamide
CID 103895193
N-(4-methoxyphenyl)-1,4-dimethylpyrazole-3-carboxamide
CID 110860027
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607
3-N,4-N-bis(1-ethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097735

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide?
The IUPAC name of 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide (CID 29097610) is 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide is Cc1ccc(NC(=O)c2cn(C)nc2C(=O)Nc2ccc(C)cc2)cc1.
What is the InChIKey of 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide?
The InChIKey is IHEFFUQRNVCLNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-8-15(9-5-13)21-19(25)17-12-24(3)23-18(17)20(26)22-16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide?
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.54, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).