N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide

C24H30N4O2S — CID 1052212

About N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide (PubChem CID 1052212) has the molecular formula C24H30N4O2S and a molecular weight of 438.60 g/mol. Its IUPAC name is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide.

Molecular Properties

• Compound Name: N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide
• PubChem CID: 1052212
• Molecular Formula: C24H30N4O2S
• Molecular Weight: 438.60 g/mol
• Exact Mass: 438.21
• IUPAC Name: N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide
• SMILES: CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)c1cccs1
• InChI: InChI=1S/C24H30N4O2S/c1-6-13-27(23(30)19-8-7-14-31-19)16-22(29)25-21-15-20(24(3,4)5)26-28(21)18-11-9-17(2)10-12-18/h7-12,14-15H,6,13,16H2,1-5H3,(H,25,29)
• InChIKey: BITLXUGTLYZEIH-UHFFFAOYSA-N
• XLogP: 5.03
• TPSA: 67.23 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	438.60
LogP ≤ 5	5.03
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide?

The IUPAC name of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide (CID 1052212) is N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide.

What is the SMILES notation for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide?

The canonical SMILES for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide is CCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1)C(=O)c1cccs1.

What is the InChIKey of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide?

The InChIKey is BITLXUGTLYZEIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N4O2S/c1-6-13-27(23(30)19-8-7-14-31-19)16-22(29)25-21-15-20(24(3,4)5)26-28(21)18-11-9-17(2)10-12-18/h7-12,14-15H,6,13,16H2,1-5H3,(H,25,29).

What are the key properties of N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide?

N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide has a molecular weight of 438.60 g/mol, XLogP of 5.03, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[[3-tert-butyl-1-(4-methylphenyl)pyrazol-5-yl]amino]-2-oxoethyl]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 1052212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).