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

C20H20N4O2 — CID 29097602

IUPAC1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H20N4O2/c1-13-6-4-8-15(10-13)21-19(25)17-12-24(3)23-18(17)20(26)22-16-9-5-7-14(2)11-16/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyOSCLDWPUAHOTDS-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds4

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

1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide (PubChem CID 29097602) 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(3-methylphenyl)pyrazole-3,4-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
PubChem CID29097602
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide
SMILESCc1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C)c2)c1
InChIInChI=1S/C20H20N4O2/c1-13-6-4-8-15(10-13)21-19(25)17-12-24(3)23-18(17)20(26)22-16-9-5-7-14(2)11-16/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyOSCLDWPUAHOTDS-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

3-N,4-N-bis(3-acetylphenyl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097609
1-methyl-3-N,4-N-bis(4-methylphenyl)pyrazole-3,4-dicarboxamide
CID 29097610
1-[(4-bromo-1-methylpyrazole-3-carbonyl)amino]-3-(3-methylphenyl)urea
CID 1008073
4-[(3,4-dimethylphenyl)carbamoyl]-1-methylpyrazole-3-carboxylic acid
CID 19498518
N-(3-tert-butylphenyl)-1,3-dimethylpyrazole-4-carboxamide
CID 158670361
3-N,4-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,4-dicarboxamide
CID 29097892
1,3-dimethyl-N-(3-methylphenyl)-2,4-dioxopyrimidine-5-carboxamide
CID 84551318
3-[(3-chloro-4-methylphenyl)carbamoyl]-1-methylpyrazole-4-carboxylic acid
CID 19498199
2,5-dimethyl-N-(3-methylphenyl)benzamide
CID 925357
1-methyl-N-(3-methylphenyl)pyrrole-3-carboxamide
CID 110762711
4-bromo-N-(3,5-dimethylphenyl)-1-methylpyrazole-3-carboxamide
CID 903278
1-methyl-3-N,4-N-dipyridin-2-ylpyrazole-3,4-dicarboxamide
CID 29097607

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide?
The IUPAC name of 1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide (CID 29097602) is 1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide is Cc1cccc(NC(=O)c2cn(C)nc2C(=O)Nc2cccc(C)c2)c1.
What is the InChIKey of 1-methyl-3-N,4-N-bis(3-methylphenyl)pyrazole-3,4-dicarboxamide?
The InChIKey is OSCLDWPUAHOTDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-6-4-8-15(10-13)21-19(25)17-12-24(3)23-18(17)20(26)22-16-9-5-7-14(2)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(3-methylphenyl)pyrazole-3,4-dicarboxamide?
1-methyl-3-N,4-N-bis(3-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(3-methylphenyl)pyrazole-3,4-dicarboxamide is sourced from PubChem (CID 29097602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).