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

C22H20N4O2S — CID 25281556

IUPAC2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H20N4O2S/c1-15-12-20(24-21(27)13-16-8-10-18(28-2)11-9-16)26(25-15)22-23-19(14-29-22)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyQXFUOHFBFQPBDC-UHFFFAOYSA-N
MW404.50 g/mol
LogP4.49
Rot. Bonds6

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

2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (PubChem CID 25281556) has the molecular formula C22H20N4O2S and a molecular weight of 404.50 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
PubChem CID25281556
Molecular FormulaC22H20N4O2S
Molecular Weight404.50 g/mol
Exact Mass404.13
IUPAC Name2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1
InChIInChI=1S/C22H20N4O2S/c1-15-12-20(24-21(27)13-16-8-10-18(28-2)11-9-16)26(25-15)22-23-19(14-29-22)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,27)
InChIKeyQXFUOHFBFQPBDC-UHFFFAOYSA-N
XLogP4.49
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide (CID 25281556) is 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is COc1ccc(CC(=O)Nc2cc(C)nn2-c2nc(-c3ccccc3)cs2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
The InChIKey is QXFUOHFBFQPBDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2S/c1-15-12-20(24-21(27)13-16-8-10-18(28-2)11-9-16)26(25-15)22-23-19(14-29-22)17-6-4-3-5-7-17/h3-12,14H,13H2,1-2H3,(H,24,27).
What are the key properties of 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide?
2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide has a molecular weight of 404.50 g/mol, XLogP of 4.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-N-[5-methyl-2-(4-phenyl-1,3-thiazol-2-yl)pyrazol-3-yl]acetamide is sourced from PubChem (CID 25281556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).