N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

C18H28N4OS — CID 97116216

About N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide

N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (PubChem CID 97116216) has the molecular formula C18H28N4OS and a molecular weight of 348.52 g/mol. Its IUPAC name is N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
• PubChem CID: 97116216
• Molecular Formula: C18H28N4OS
• Molecular Weight: 348.52 g/mol
• Exact Mass: 348.20
• IUPAC Name: N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide
• SMILES: CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1sccc1C)N(C)C
• InChI: InChI=1S/C18H28N4OS/c1-7-22-15(10-14(20-22)12(2)3)18(23)19-11-16(21(5)6)17-13(4)8-9-24-17/h8-10,12,16H,7,11H2,1-6H3,(H,19,23)/t16-/m0/s1
• InChIKey: YXYCSTUDIWBTJS-INIZCTEOSA-N
• XLogP: 3.43
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	348.52
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?

The IUPAC name of N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide (CID 97116216) is N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide.

What is the SMILES notation for N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?

The canonical SMILES for N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is CCn1nc(C(C)C)cc1C(=O)NC[C@@H](c1sccc1C)N(C)C.

What is the InChIKey of N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?

The InChIKey is YXYCSTUDIWBTJS-INIZCTEOSA-N. The full InChI is InChI=1S/C18H28N4OS/c1-7-22-15(10-14(20-22)12(2)3)18(23)19-11-16(21(5)6)17-13(4)8-9-24-17/h8-10,12,16H,7,11H2,1-6H3,(H,19,23)/t16-/m0/s1.

What are the key properties of N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide?

N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide has a molecular weight of 348.52 g/mol, XLogP of 3.43, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-2-(dimethylamino)-2-(3-methylthiophen-2-yl)ethyl]-1-ethyl-3-propan-2-ylpyrazole-5-carboxamide is sourced from PubChem (CID 97116216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).