5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

C20H24N4OS — CID 121061487

About 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide

5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (PubChem CID 121061487) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
• PubChem CID: 121061487
• Molecular Formula: C20H24N4OS
• Molecular Weight: 368.51 g/mol
• Exact Mass: 368.17
• IUPAC Name: 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)c(C)c1
• InChI: InChI=1S/C20H24N4OS/c1-11(2)24-15(6)9-16(23-24)19(25)22-20-21-17(10-26-20)18-13(4)7-12(3)8-14(18)5/h7-11H,1-6H3,(H,21,22,25)
• InChIKey: KWYRLQMNTPHSCO-UHFFFAOYSA-N
• XLogP: 5.07
• TPSA: 59.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	368.51
LogP ≤ 5	5.07
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The IUPAC name of 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide (CID 121061487) is 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide.

What is the SMILES notation for 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The canonical SMILES for 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is Cc1cc(C)c(-c2csc(NC(=O)c3cc(C)n(C(C)C)n3)n2)c(C)c1.

What is the InChIKey of 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

The InChIKey is KWYRLQMNTPHSCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-11(2)24-15(6)9-16(23-24)19(25)22-20-21-17(10-26-20)18-13(4)7-12(3)8-14(18)5/h7-11H,1-6H3,(H,21,22,25).

What are the key properties of 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide?

5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide has a molecular weight of 368.51 g/mol, XLogP of 5.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-1-propan-2-yl-N-[4-(2,4,6-trimethylphenyl)-1,3-thiazol-2-yl]pyrazole-3-carboxamide is sourced from PubChem (CID 121061487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).