4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide

C24H24N4O3S — CID 16580099

IUPAC4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C24H24N4O3S/c1-16-15-32-24(25-16)26-22(29)12-13-23(30)28-21(18-8-10-19(31-2)11-9-18)14-20(27-28)17-6-4-3-5-7-17/h3-11,15,21H,12-14H2,1-2H3,(H,25,26,29)
InChIKeyYXSDOBLHHQRJKD-UHFFFAOYSA-N
MW448.55 g/mol
LogP4.56
Rot. Bonds7

About 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide

4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide (PubChem CID 16580099) has the molecular formula C24H24N4O3S and a molecular weight of 448.55 g/mol. Its IUPAC name is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide.

Molecular Properties

Compound Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
PubChem CID16580099
Molecular FormulaC24H24N4O3S
Molecular Weight448.55 g/mol
Exact Mass448.16
IUPAC Name4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide
SMILESCOc1ccc(C2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2nc(C)cs2)cc1
InChIInChI=1S/C24H24N4O3S/c1-16-15-32-24(25-16)26-22(29)12-13-23(30)28-21(18-8-10-19(31-2)11-9-18)14-20(27-28)17-6-4-3-5-7-17/h3-11,15,21H,12-14H2,1-2H3,(H,25,26,29)
InChIKeyYXSDOBLHHQRJKD-UHFFFAOYSA-N
XLogP4.56
TPSA83.89 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.55
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1118091
N-[(4-methoxyphenyl)methyl]-4-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanamide
CID 25413145
N-[2-[[4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxobutanoyl]amino]ethyl]benzamide
CID 24660002
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-4-oxo-N-(1-pyridin-2-ylethyl)butanamide
CID 24645493
1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]propan-1-one
CID 2960227
4-[(3R)-5-(4-bromophenyl)-3-(4-methoxyphenyl)-3,4-dihydropyrazol-2-yl]-4-oxobutanoic acid
CID 1039093
5-[(3S)-3-(4-methoxyphenyl)-5-(4-methylphenyl)-3,4-dihydropyrazol-2-yl]-5-oxopentanoic acid
CID 40563833
1-[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 7819835
[2-[(3S)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methyl-(thiophen-3-ylmethyl)azanium
CID 9054548
2-[[2-[(3R)-3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-2-oxoethyl]-methylamino]-N-propan-2-ylacetamide
CID 9049237
N-(1-cyclopropylethyl)-4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-methyl-4-oxobutanamide
CID 24688328
2-(benzenesulfonyl)-1-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]ethanone
CID 112779771

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide?
The IUPAC name of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide (CID 16580099) is 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide.
What is the SMILES notation for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide?
The canonical SMILES for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide is COc1ccc(C2CC(c3ccccc3)=NN2C(=O)CCC(=O)Nc2nc(C)cs2)cc1.
What is the InChIKey of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide?
The InChIKey is YXSDOBLHHQRJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O3S/c1-16-15-32-24(25-16)26-22(29)12-13-23(30)28-21(18-8-10-19(31-2)11-9-18)14-20(27-28)17-6-4-3-5-7-17/h3-11,15,21H,12-14H2,1-2H3,(H,25,26,29).
What are the key properties of 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide?
4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide has a molecular weight of 448.55 g/mol, XLogP of 4.56, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-methoxyphenyl)-5-phenyl-3,4-dihydropyrazol-2-yl]-N-(4-methyl-1,3-thiazol-2-yl)-4-oxobutanamide is sourced from PubChem (CID 16580099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).