N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

C20H20N4O2 — CID 108791901

IUPACN-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H20N4O2/c1-13-9-10-16(22-15(3)25)11-19(13)23-20(26)18-12-21-24(14(18)2)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyNHSXUUZFMFUBCF-UHFFFAOYSA-N
MW348.41 g/mol
LogP3.70
Rot. Bonds4

About N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide

N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 108791901) has the molecular formula C20H20N4O2 and a molecular weight of 348.41 g/mol. Its IUPAC name is N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
PubChem CID108791901
Molecular FormulaC20H20N4O2
Molecular Weight348.41 g/mol
Exact Mass348.16
IUPAC NameN-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1
InChIInChI=1S/C20H20N4O2/c1-13-9-10-16(22-15(3)25)11-19(13)23-20(26)18-12-21-24(14(18)2)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,22,25)(H,23,26)
InChIKeyNHSXUUZFMFUBCF-UHFFFAOYSA-N
XLogP3.70
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 ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,5-dimethylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 850670
5-methyl-N-[2-methyl-5-(phenylcarbamoylamino)phenyl]-1-[3-(trifluoromethyl)phenyl]pyrazole-4-carboxamide
CID 55700571
5-methyl-N-(4-methyl-3-nitrophenyl)-1-phenylpyrazole-4-carboxamide
CID 25299287
2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoic acid
CID 108804246
N-(5-fluoro-2-methylphenyl)-1-(4-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 46583862
N-(4-acetamido-3-methylphenyl)-5-methyl-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 146075405
N-(4-bromophenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 41482979
N-(4,6-dimethylpyrimidin-2-yl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108804181
N-(3-chloro-4-methoxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108791811
5-methyl-N-[2-methyl-5-[[1-phenyl-5-(trifluoromethyl)pyrazole-4-carbonyl]amino]phenyl]-1,2-oxazole-4-carboxamide
CID 122189927
N-[4-[(4,6-dimethylpyrimidin-2-yl)amino]phenyl]-5-methyl-1-phenylpyrazole-4-carboxamide
CID 108743569
N-(5-tert-butyl-2-hydroxyphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide
CID 86912856

Frequently Asked Questions

What is the IUPAC name of N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The IUPAC name of N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide (CID 108791901) is N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide.
What is the SMILES notation for N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The canonical SMILES for N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is CC(=O)Nc1ccc(C)c(NC(=O)c2cnn(-c3ccccc3)c2C)c1.
What is the InChIKey of N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
The InChIKey is NHSXUUZFMFUBCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O2/c1-13-9-10-16(22-15(3)25)11-19(13)23-20(26)18-12-21-24(14(18)2)17-7-5-4-6-8-17/h4-12H,1-3H3,(H,22,25)(H,23,26).
What are the key properties of N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide?
N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 348.41 g/mol, XLogP of 3.70, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-acetamido-2-methylphenyl)-5-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 108791901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).