N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

C23H21N5O2S — CID 55605099

IUPACN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1
InChIInChI=1S/C23H21N5O2S/c1-14-6-4-5-7-21(14)28-15(2)19(12-24-28)22(30)27-23-26-20(13-31-23)17-8-10-18(11-9-17)25-16(3)29/h4-13H,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyMASQFCLVEGXJQF-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.82
Rot. Bonds5

About N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide

N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (PubChem CID 55605099) has the molecular formula C23H21N5O2S and a molecular weight of 431.52 g/mol. Its IUPAC name is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
PubChem CID55605099
Molecular FormulaC23H21N5O2S
Molecular Weight431.52 g/mol
Exact Mass431.14
IUPAC NameN-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
SMILESCC(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1
InChIInChI=1S/C23H21N5O2S/c1-14-6-4-5-7-21(14)28-15(2)19(12-24-28)22(30)27-23-26-20(13-31-23)17-8-10-18(11-9-17)25-16(3)29/h4-13H,1-3H3,(H,25,29)(H,26,27,30)
InChIKeyMASQFCLVEGXJQF-UHFFFAOYSA-N
XLogP4.82
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[4-(1-acetamidoethyl)phenyl]-1,3-thiazol-2-yl]-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 55607661
N-[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 32936510
4-acetamido-N-[4-(4-phenylphenyl)-1,3-thiazol-2-yl]benzamide
CID 2463728
N-(4-acetyl-1,3-thiazol-2-yl)-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 134026336
2-methyl-N-(4-phenyl-1,3-thiazol-2-yl)benzamide
CID 576996
N-[4-(5-carbamoyl-1H-pyrrol-3-yl)-1,3-thiazol-2-yl]-5-cyclopropyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 37029223
N-[4-[5-(acetamidomethyl)thiophen-2-yl]-1,3-thiazol-2-yl]-1-(2-fluorophenyl)-5-methylpyrazole-4-carboxamide
CID 55520765
5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-1-quinolin-2-ylpyrazole-4-carboxamide
CID 108810824
5-methyl-1-(2-methylphenyl)-N-(2,4,5-trichlorophenyl)pyrazole-4-carboxamide
CID 55607208
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-2-ethylsulfinylbenzamide
CID 112772045
5-cyclopropyl-1-(2-methylphenyl)-N-(4-methyl-1,3-thiazol-2-yl)pyrazole-4-carboxamide
CID 37022263
N-(4-bromo-3-methylphenyl)-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 55604592

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The IUPAC name of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide (CID 55605099) is N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide.
What is the SMILES notation for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The canonical SMILES for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is CC(=O)Nc1ccc(-c2csc(NC(=O)c3cnn(-c4ccccc4C)c3C)n2)cc1.
What is the InChIKey of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
The InChIKey is MASQFCLVEGXJQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O2S/c1-14-6-4-5-7-21(14)28-15(2)19(12-24-28)22(30)27-23-26-20(13-31-23)17-8-10-18(11-9-17)25-16(3)29/h4-13H,1-3H3,(H,25,29)(H,26,27,30).
What are the key properties of N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide?
N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide has a molecular weight of 431.52 g/mol, XLogP of 4.82, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]-5-methyl-1-(2-methylphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 55605099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).