N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

C24H21FN4O3S — CID 20898801

IUPACN-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1
InChIInChI=1S/C24H21FN4O3S/c1-14-20(11-12-22(31)26-19-9-5-16(6-10-19)15(2)30)23(32)29(28-14)24-27-21(13-33-24)17-3-7-18(25)8-4-17/h3-10,13,28H,11-12H2,1-2H3,(H,26,31)
InChIKeyWGTXAZKRXAZNPX-UHFFFAOYSA-N
MW464.52 g/mol
LogP4.51
Rot. Bonds7

About N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 20898801) has the molecular formula C24H21FN4O3S and a molecular weight of 464.52 g/mol. Its IUPAC name is N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID20898801
Molecular FormulaC24H21FN4O3S
Molecular Weight464.52 g/mol
Exact Mass464.13
IUPAC NameN-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCC(=O)c1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1
InChIInChI=1S/C24H21FN4O3S/c1-14-20(11-12-22(31)26-19-9-5-16(6-10-19)15(2)30)23(32)29(28-14)24-27-21(13-33-24)17-3-7-18(25)8-4-17/h3-10,13,28H,11-12H2,1-2H3,(H,26,31)
InChIKeyWGTXAZKRXAZNPX-UHFFFAOYSA-N
XLogP4.51
TPSA96.85 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.52
LogP ≤ 54.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanoate
CID 46269430
N-(3-methoxyphenyl)-3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750988
3-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-propan-2-ylpropanamide
CID 46269406
N-(3-acetylphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
CID 20898666
3-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)propanamide
CID 46269439
N-(4-methoxyphenyl)-2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]acetamide
CID 50750622
N-(3,4-dimethylphenyl)-2-[5-methyl-3-oxo-2-(4-phenyl-1,3-thiazol-2-yl)-1H-pyrazol-4-yl]acetamide
CID 46269222
N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750942
2-[2-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]-N-(3-methoxyphenyl)acetamide
CID 46269245
2-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]-3-oxo-1H-pyrazol-4-yl]-N-(2-methylphenyl)acetamide
CID 50750668
2-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-3,5-dimethylpyrazol-4-yl]-N-phenylacetamide
CID 53045303
N-(4-acetylphenyl)-4-methyl-2-[5-methyl-4-(3-methylbutyl)-3-oxo-1H-pyrazol-2-yl]-1,3-thiazole-5-carboxamide
CID 20898769

Frequently Asked Questions

What is the IUPAC name of N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (CID 20898801) is N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is CC(=O)c1ccc(NC(=O)CCc2c(C)[nH]n(-c3nc(-c4ccc(F)cc4)cs3)c2=O)cc1.
What is the InChIKey of N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is WGTXAZKRXAZNPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4O3S/c1-14-20(11-12-22(31)26-19-9-5-16(6-10-19)15(2)30)23(32)29(28-14)24-27-21(13-33-24)17-3-7-18(25)8-4-17/h3-10,13,28H,11-12H2,1-2H3,(H,26,31).
What are the key properties of N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 464.52 g/mol, XLogP of 4.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-acetylphenyl)-3-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 20898801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).