1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

C22H27N5O4 — CID 19416100

About 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide

1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (PubChem CID 19416100) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
• PubChem CID: 19416100
• Molecular Formula: C22H27N5O4
• Molecular Weight: 425.49 g/mol
• Exact Mass: 425.21
• IUPAC Name: 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide
• SMILES: CCn1cc(NC(=O)c2ccc(CN3CCCCC3)o2)c(C(=O)NCc2ccco2)n1
• InChI: InChI=1S/C22H27N5O4/c1-2-27-15-18(20(25-27)22(29)23-13-16-7-6-12-30-16)24-21(28)19-9-8-17(31-19)14-26-10-4-3-5-11-26/h6-9,12,15H,2-5,10-11,13-14H2,1H3,(H,23,29)(H,24,28)
• InChIKey: XNFBNNZMHPQPLD-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 105.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	425.49
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

The IUPAC name of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide (CID 19416100) is 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide.

What is the SMILES notation for 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

The canonical SMILES for 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is CCn1cc(NC(=O)c2ccc(CN3CCCCC3)o2)c(C(=O)NCc2ccco2)n1.

What is the InChIKey of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

The InChIKey is XNFBNNZMHPQPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-2-27-15-18(20(25-27)22(29)23-13-16-7-6-12-30-16)24-21(28)19-9-8-17(31-19)14-26-10-4-3-5-11-26/h6-9,12,15H,2-5,10-11,13-14H2,1H3,(H,23,29)(H,24,28).

What are the key properties of 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide?

1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 3.26, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-ethyl-N-(furan-2-ylmethyl)-4-[[5-(piperidin-1-ylmethyl)furan-2-carbonyl]amino]pyrazole-3-carboxamide is sourced from PubChem (CID 19416100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).