2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

C20H23ClN4O3S — CID 20898693

About 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide

2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 20898693) has the molecular formula C20H23ClN4O3S and a molecular weight of 434.95 g/mol. Its IUPAC name is 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
• PubChem CID: 20898693
• Molecular Formula: C20H23ClN4O3S
• Molecular Weight: 434.95 g/mol
• Exact Mass: 434.12
• IUPAC Name: 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
• SMILES: CCCCc1c(C)[nH]n(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3OC)s2)c1=O
• InChI: InChI=1S/C20H23ClN4O3S/c1-5-6-7-14-11(2)24-25(19(14)27)20-22-12(3)17(29-20)18(26)23-15-10-13(21)8-9-16(15)28-4/h8-10,24H,5-7H2,1-4H3,(H,23,26)
• InChIKey: RFWXRITXVXXVHN-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 89.01 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.95
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide (CID 20898693) is 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is CCCCc1c(C)[nH]n(-c2nc(C)c(C(=O)Nc3cc(Cl)ccc3OC)s2)c1=O.

What is the InChIKey of 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?

The InChIKey is RFWXRITXVXXVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN4O3S/c1-5-6-7-14-11(2)24-25(19(14)27)20-22-12(3)17(29-20)18(26)23-15-10-13(21)8-9-16(15)28-4/h8-10,24H,5-7H2,1-4H3,(H,23,26).

What are the key properties of 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide?

2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 434.95 g/mol, XLogP of 4.50, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-butyl-5-methyl-3-oxo-1H-pyrazol-2-yl)-N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 20898693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).