N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide

C21H22N4O2 — CID 146075405

IUPACN-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1C
InChIInChI=1S/C21H22N4O2/c1-13-5-8-18(9-6-13)25-15(3)19(12-22-25)21(27)24-17-7-10-20(14(2)11-17)23-16(4)26/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeySRHYXVQTUJIKRY-UHFFFAOYSA-N
MW362.43 g/mol
LogP4.01
Rot. Bonds4

About N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide

N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide (PubChem CID 146075405) has the molecular formula C21H22N4O2 and a molecular weight of 362.43 g/mol. Its IUPAC name is N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
PubChem CID146075405
Molecular FormulaC21H22N4O2
Molecular Weight362.43 g/mol
Exact Mass362.17
IUPAC NameN-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1C
InChIInChI=1S/C21H22N4O2/c1-13-5-8-18(9-6-13)25-15(3)19(12-22-25)21(27)24-17-7-10-20(14(2)11-17)23-16(4)26/h5-12H,1-4H3,(H,23,26)(H,24,27)
InChIKeySRHYXVQTUJIKRY-UHFFFAOYSA-N
XLogP4.01
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.43
LogP ≤ 54.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791901
N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
N-(2,4-dimethylphenyl)-1-(4-methylphenyl)-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 20915052
5-ethyl-N,1-bis(4-methylphenyl)pyrazole-4-carboxamide
CID 46584156
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 25299287
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
5-methyl-1-(3-methylphenyl)-N-pyridin-4-ylpyrazole-4-carboxamide
CID 25343532
N-(3-bromophenyl)-1-(4-chlorophenyl)-5-methylpyrazole-4-carboxamide
CID 24629396
N-[4-(diethylamino)-2-methylphenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791923
5-methyl-N-[4-[[6-methyl-2-(4-methylanilino)pyrimidin-4-yl]amino]phenyl]-1-phenylpyrazole-4-carboxamide
CID 122296084
1-(4-bromophenyl)-N-(3,4-diethoxyphenyl)-5-methylpyrazole-4-carboxamide
CID 46562409

Frequently Asked Questions

What is the IUPAC name of N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide (CID 146075405) is N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide is CC(=O)Nc1ccc(NC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1C.
What is the InChIKey of N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is SRHYXVQTUJIKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O2/c1-13-5-8-18(9-6-13)25-15(3)19(12-22-25)21(27)24-17-7-10-20(14(2)11-17)23-16(4)26/h5-12H,1-4H3,(H,23,26)(H,24,27).
What are the key properties of N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide?
N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 362.43 g/mol, XLogP of 4.01, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 146075405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).