N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

C22H26N4O2S — CID 167983894

About N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (PubChem CID 167983894) has the molecular formula C22H26N4O2S and a molecular weight of 410.54 g/mol. Its IUPAC name is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
• PubChem CID: 167983894
• Molecular Formula: C22H26N4O2S
• Molecular Weight: 410.54 g/mol
• Exact Mass: 410.18
• IUPAC Name: N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide
• SMILES: COc1ccccc1C(CNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)N1CCCC1
• InChI: InChI=1S/C22H26N4O2S/c1-15-9-10-21(29-15)17-13-18(25-24-17)22(27)23-14-19(26-11-5-6-12-26)16-7-3-4-8-20(16)28-2/h3-4,7-10,13,19H,5-6,11-12,14H2,1-2H3,(H,23,27)(H,24,25)
• InChIKey: FZWDDQDJEDPIQB-UHFFFAOYSA-N
• XLogP: 4.02
• TPSA: 70.25 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.54
LogP ≤ 5	4.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

The IUPAC name of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide (CID 167983894) is N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide.

What is the SMILES notation for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

The canonical SMILES for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is COc1ccccc1C(CNC(=O)c1cc(-c2ccc(C)s2)[nH]n1)N1CCCC1.

What is the InChIKey of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

The InChIKey is FZWDDQDJEDPIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O2S/c1-15-9-10-21(29-15)17-13-18(25-24-17)22(27)23-14-19(26-11-5-6-12-26)16-7-3-4-8-20(16)28-2/h3-4,7-10,13,19H,5-6,11-12,14H2,1-2H3,(H,23,27)(H,24,25).

What are the key properties of N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide?

N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide has a molecular weight of 410.54 g/mol, XLogP of 4.02, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(2-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-5-(5-methylthiophen-2-yl)-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 167983894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).