1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide

C20H20N4O2 — CID 679026

IUPAC1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)cc3)n(C)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-8-15(9-5-13)21-19(25)17-12-18(24(3)23-17)20(26)22-16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyNFZAIMANXHXRCJ-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.54
Rot. Bonds4

About 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide

1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide (PubChem CID 679026) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide.

Molecular Properties

Compound Name1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
PubChem CID679026
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC Name1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide
SMILESCc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)cc3)n(C)n2)cc1
InChIInChI=1S/C20H20N4O2/c1-13-4-8-15(9-5-13)21-19(25)17-12-18(24(3)23-17)20(26)22-16-10-6-14(2)7-11-16/h4-12H,1-3H3,(H,21,25)(H,22,26)
InChIKeyNFZAIMANXHXRCJ-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-N-(4-methylphenyl)-5-(trifluoromethyl)pyrazole-3-carboxamide
CID 47001916
3-N,5-N-bis(3,4-difluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097127
methyl 3-[(4-fluorophenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 5303442
3-N,5-N-bis(3-fluorophenyl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097363
3-N,5-N-bis(2,5-dimethylpyrazol-3-yl)-1-methylpyrazole-3,5-dicarboxamide
CID 29097376
5-(3-fluorophenyl)-1-methyl-N-(4-methylphenyl)pyrazole-3-carboxamide
CID 42879083
4-[(1,5-dimethylpyrazole-3-carbonyl)amino]benzoic acid
CID 113263077
1-methyl-N-(4-methylphenyl)-3-thiophen-2-ylpyrazole-5-carboxamide
CID 812762
4-[(2,5-dimethylpyrazole-3-carbonyl)amino]benzenesulfonyl chloride
CID 66128613
N-[4-(dimethylamino)phenyl]-1,5-dimethylpyrazole-3-carboxamide
CID 110685819
N-(4-tert-butylphenyl)-2,5-dimethylpyrazole-3-carboxamide
CID 110685894
ethyl 3-[(3-fluoro-4-methylphenyl)carbamoyl]-1-methylpyrazole-5-carboxylate
CID 843011

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide?
The IUPAC name of 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide (CID 679026) is 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide.
What is the SMILES notation for 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide?
The canonical SMILES for 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide is Cc1ccc(NC(=O)c2cc(C(=O)Nc3ccc(C)cc3)n(C)n2)cc1.
What is the InChIKey of 1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide?
The InChIKey is NFZAIMANXHXRCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-4-8-15(9-5-13)21-19(25)17-12-18(24(3)23-17)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,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide?
1-methyl-3-N,5-N-bis(4-methylphenyl)pyrazole-3,5-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,5-N-bis(4-methylphenyl)pyrazole-3,5-dicarboxamide is sourced from PubChem (CID 679026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).