N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide

C19H21ClN4O2S — CID 50750925

IUPACN-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1c(C)[nH]n(-c2nc(C)c(C)s2)c1=O
InChIInChI=1S/C19H21ClN4O2S/c1-10-5-6-14(20)9-16(10)22-17(25)8-7-15-12(3)23-24(18(15)26)19-21-11(2)13(4)27-19/h5-6,9,23H,7-8H2,1-4H3,(H,22,25)
InChIKeyIFCDUKOIPFZVMN-UHFFFAOYSA-N
MW404.92 g/mol
LogP4.08
Rot. Bonds5

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

N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (PubChem CID 50750925) has the molecular formula C19H21ClN4O2S and a molecular weight of 404.92 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
PubChem CID50750925
Molecular FormulaC19H21ClN4O2S
Molecular Weight404.92 g/mol
Exact Mass404.11
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
SMILESCc1ccc(Cl)cc1NC(=O)CCc1c(C)[nH]n(-c2nc(C)c(C)s2)c1=O
InChIInChI=1S/C19H21ClN4O2S/c1-10-5-6-14(20)9-16(10)22-17(25)8-7-15-12(3)23-24(18(15)26)19-21-11(2)13(4)27-19/h5-6,9,23H,7-8H2,1-4H3,(H,22,25)
InChIKeyIFCDUKOIPFZVMN-UHFFFAOYSA-N
XLogP4.08
TPSA79.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.92
LogP ≤ 54.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide 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

N-(2,4-dimethoxyphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750943
N-(3-chlorophenyl)-3-[5-methyl-2-(4-methyl-1,3-thiazol-2-yl)-3-oxo-1H-pyrazol-4-yl]propanamide
CID 50750942
N-(5-chloro-2-methylphenyl)-3-(5-cyano-2,4-dimethyl-6-oxo-1H-pyridin-3-yl)propanamide
CID 18273873
N-(2,5-dimethylphenyl)-3-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 110388753
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(5-chloro-2-methylphenyl)-3-(1,3-oxazol-4-yl)propanamide
CID 110679070
N-(4-chloro-2-methylphenyl)-3-(2,4-dimethyl-1,3-thiazol-5-yl)propanamide
CID 110859212
N-(5-chloro-2-methylphenyl)-3-(3-methyl-2-oxoquinoxalin-1-yl)propanamide
CID 46324339
N-(5-chloro-2-methylphenyl)-3-(7-fluoro-2-oxo-1H-quinolin-3-yl)propanamide
CID 110420828
N-(5-chloro-2-methylphenyl)-3-(12-oxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-10-yl)propanamide
CID 24647446
N-(5-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]acetamide
CID 43405190
N-(5-chloro-2-methylphenyl)-4-(methylamino)butanamide
CID 60841323

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide (CID 50750925) is N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is Cc1ccc(Cl)cc1NC(=O)CCc1c(C)[nH]n(-c2nc(C)c(C)s2)c1=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
The InChIKey is IFCDUKOIPFZVMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN4O2S/c1-10-5-6-14(20)9-16(10)22-17(25)8-7-15-12(3)23-24(18(15)26)19-21-11(2)13(4)27-19/h5-6,9,23H,7-8H2,1-4H3,(H,22,25).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide?
N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide has a molecular weight of 404.92 g/mol, XLogP of 4.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[2-(4,5-dimethyl-1,3-thiazol-2-yl)-5-methyl-3-oxo-1H-pyrazol-4-yl]propanamide is sourced from PubChem (CID 50750925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).