2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide

C22H19ClN4OS — CID 4873520

IUPAC2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
SMILESCc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(=O)CCl)n2)cc1
InChIInChI=1S/C22H19ClN4OS/c1-14-3-7-16(8-4-14)18-11-20(25-21(28)12-23)27(26-18)22-24-19(13-29-22)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyNAKVEADHDCFYCS-UHFFFAOYSA-N
MW422.94 g/mol
LogP5.46
Rot. Bonds5

About 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide

2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide (PubChem CID 4873520) has the molecular formula C22H19ClN4OS and a molecular weight of 422.94 g/mol. Its IUPAC name is 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
PubChem CID4873520
Molecular FormulaC22H19ClN4OS
Molecular Weight422.94 g/mol
Exact Mass422.10
IUPAC Name2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
SMILESCc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(=O)CCl)n2)cc1
InChIInChI=1S/C22H19ClN4OS/c1-14-3-7-16(8-4-14)18-11-20(25-21(28)12-23)27(26-18)22-24-19(13-29-22)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,25,28)
InChIKeyNAKVEADHDCFYCS-UHFFFAOYSA-N
XLogP5.46
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.94
LogP ≤ 55.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
CID 1489969
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-yl]-2-chloroacetamide
CID 2715964
N-[3-(4-methoxyphenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1498355
N-[3-(4-chlorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1489999
ethyl 2-[5-acetamido-3-(4-methylphenyl)pyrazol-1-yl]-1,3-thiazole-4-carboxylate
CID 1498339
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
N-[3-(4-fluorophenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]formamide
CID 1490007
N-[3-(4-bromophenyl)-1-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 1490075
N-[3-(4-chlorophenyl)-1-(4-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 17038226
2-cyclohexyl-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25282015
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide (CID 4873520) is 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide is Cc1ccc(-c2csc(-n3nc(-c4ccc(C)cc4)cc3NC(=O)CCl)n2)cc1.
What is the InChIKey of 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
The InChIKey is NAKVEADHDCFYCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN4OS/c1-14-3-7-16(8-4-14)18-11-20(25-21(28)12-23)27(26-18)22-24-19(13-29-22)17-9-5-15(2)6-10-17/h3-11,13H,12H2,1-2H3,(H,25,28).
What are the key properties of 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide?
2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide has a molecular weight of 422.94 g/mol, XLogP of 5.46, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide is sourced from PubChem (CID 4873520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).