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

C21H17ClN4O2S — CID 1489969

IUPAC2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-13-5-7-14(8-6-13)17-10-19(24-20(28)11-22)26(25-17)21-23-18(12-29-21)15-3-2-4-16(27)9-15/h2-10,12,27H,11H2,1H3,(H,24,28)
InChIKeyPROXXLCXGNDBEC-UHFFFAOYSA-N
MW424.91 g/mol
LogP4.85
Rot. Bonds5

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

2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide (PubChem CID 1489969) has the molecular formula C21H17ClN4O2S and a molecular weight of 424.91 g/mol. Its IUPAC name is 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
PubChem CID1489969
Molecular FormulaC21H17ClN4O2S
Molecular Weight424.91 g/mol
Exact Mass424.08
IUPAC Name2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide
SMILESCc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1
InChIInChI=1S/C21H17ClN4O2S/c1-13-5-7-14(8-6-13)17-10-19(24-20(28)11-22)26(25-17)21-23-18(12-29-21)15-3-2-4-16(27)9-15/h2-10,12,27H,11H2,1H3,(H,24,28)
InChIKeyPROXXLCXGNDBEC-UHFFFAOYSA-N
XLogP4.85
TPSA80.04 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.91
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-chloro-N-[3-(4-methylphenyl)-1-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-5-yl]acetamide
CID 4873520
N-[1-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-(4-chlorophenyl)pyrazol-5-yl]-2-chloroacetamide
CID 2715964
2-chloro-N-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 164888892
3-methyl-N-[5-methyl-2-[4-(4-methylphenyl)-1,3-thiazol-2-yl]pyrazol-3-yl]benzamide
CID 25281712
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-phenyl-1,3-thiazol-2-yl)pyrazol-5-yl]-2,2,2-trifluoroacetamide
CID 17038226
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
N-[2-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]-5-methylpyrazol-3-yl]acetamide
CID 25281829
2-(3,4-dimethoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
CID 25281558
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

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide?
The IUPAC name of 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide (CID 1489969) is 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide.
What is the SMILES notation for 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide?
The canonical SMILES for 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide is Cc1ccc(-c2cc(NC(=O)CCl)n(-c3nc(-c4cccc(O)c4)cs3)n2)cc1.
What is the InChIKey of 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide?
The InChIKey is PROXXLCXGNDBEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17ClN4O2S/c1-13-5-7-14(8-6-13)17-10-19(24-20(28)11-22)26(25-17)21-23-18(12-29-21)15-3-2-4-16(27)9-15/h2-10,12,27H,11H2,1H3,(H,24,28).
What are the key properties of 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide?
2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide has a molecular weight of 424.91 g/mol, XLogP of 4.85, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[1-[4-(3-hydroxyphenyl)-1,3-thiazol-2-yl]-3-(4-methylphenyl)pyrazol-5-yl]acetamide is sourced from PubChem (CID 1489969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).