3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide

C23H29N5O5S — CID 53142754

About 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide

3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide (PubChem CID 53142754) has the molecular formula C23H29N5O5S and a molecular weight of 487.58 g/mol. Its IUPAC name is 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
• PubChem CID: 53142754
• Molecular Formula: C23H29N5O5S
• Molecular Weight: 487.58 g/mol
• Exact Mass: 487.19
• IUPAC Name: 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide
• SMILES: CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)NCc2ccco2)CC1
• InChI: InChI=1S/C23H29N5O5S/c1-3-27-17-19(22(29)24-16-18-8-7-15-33-18)23(25-27)34(30,31)28-13-11-26(12-14-28)20-9-5-6-10-21(20)32-4-2/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,24,29)
• InChIKey: LFMFLPZHBQEJNC-UHFFFAOYSA-N
• XLogP: 2.34
• TPSA: 109.91 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 9
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	487.58
LogP ≤ 5	2.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?

The IUPAC name of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide (CID 53142754) is 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide.

What is the SMILES notation for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?

The canonical SMILES for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide is CCOc1ccccc1N1CCN(S(=O)(=O)c2nn(CC)cc2C(=O)NCc2ccco2)CC1.

What is the InChIKey of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?

The InChIKey is LFMFLPZHBQEJNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O5S/c1-3-27-17-19(22(29)24-16-18-8-7-15-33-18)23(25-27)34(30,31)28-13-11-26(12-14-28)20-9-5-6-10-21(20)32-4-2/h5-10,15,17H,3-4,11-14,16H2,1-2H3,(H,24,29).

What are the key properties of 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide?

3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide has a molecular weight of 487.58 g/mol, XLogP of 2.34, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(2-ethoxyphenyl)piperazin-1-yl]sulfonyl-1-ethyl-N-(furan-2-ylmethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 53142754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).