N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

C23H21F3N6O3 — CID 122638571

About N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide

N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (PubChem CID 122638571) has the molecular formula C23H21F3N6O3 and a molecular weight of 486.45 g/mol. Its IUPAC name is N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

Molecular Properties

• Compound Name: N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• PubChem CID: 122638571
• Molecular Formula: C23H21F3N6O3
• Molecular Weight: 486.45 g/mol
• Exact Mass: 486.16
• IUPAC Name: N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide
• SMILES: CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1
• InChI: InChI=1S/C23H21F3N6O3/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33)
• InChIKey: IKTCEHTXRCTVRA-UHFFFAOYSA-N
• XLogP: 4.94
• TPSA: 110.86 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	486.45
LogP ≤ 5	4.94
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The IUPAC name of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide (CID 122638571) is N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide.

What is the SMILES notation for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The canonical SMILES for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is CCOC1CC(n2cc(NC(=O)c3ccc(-c4cn[nH]c4)o3)c(-c3cccc(C(F)(F)F)n3)n2)C1.

What is the InChIKey of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

The InChIKey is IKTCEHTXRCTVRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21F3N6O3/c1-2-34-15-8-14(9-15)32-12-17(21(31-32)16-4-3-5-20(29-16)23(24,25)26)30-22(33)19-7-6-18(35-19)13-10-27-28-11-13/h3-7,10-12,14-15H,2,8-9H2,1H3,(H,27,28)(H,30,33).

What are the key properties of N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide?

N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide has a molecular weight of 486.45 g/mol, XLogP of 4.94, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-(3-ethoxycyclobutyl)-3-[6-(trifluoromethyl)-2-pyridinyl]pyrazol-4-yl]-5-(1H-pyrazol-4-yl)furan-2-carboxamide is sourced from PubChem (CID 122638571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).