6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one

C20H21F3N4O3 — CID 26352681

About 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one

6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one (PubChem CID 26352681) has the molecular formula C20H21F3N4O3 and a molecular weight of 422.41 g/mol. Its IUPAC name is 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one.

Molecular Properties

• Compound Name: 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one
• PubChem CID: 26352681
• Molecular Formula: C20H21F3N4O3
• Molecular Weight: 422.41 g/mol
• Exact Mass: 422.16
• IUPAC Name: 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one
• SMILES: COc1ccc(N2C(=O)CN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC23CCCC3)cc1
• InChI: InChI=1S/C20H21F3N4O3/c1-30-14-6-4-13(5-7-14)27-17(28)11-26(12-19(27)8-2-3-9-19)18(29)15-10-16(25-24-15)20(21,22)23/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,24,25)
• InChIKey: CQPPIXBQYVLAJV-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 78.53 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	422.41
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one?

The IUPAC name of 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one (CID 26352681) is 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one.

What is the SMILES notation for 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one?

The canonical SMILES for 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one is COc1ccc(N2C(=O)CN(C(=O)c3cc(C(F)(F)F)[nH]n3)CC23CCCC3)cc1.

What is the InChIKey of 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one?

The InChIKey is CQPPIXBQYVLAJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N4O3/c1-30-14-6-4-13(5-7-14)27-17(28)11-26(12-19(27)8-2-3-9-19)18(29)15-10-16(25-24-15)20(21,22)23/h4-7,10H,2-3,8-9,11-12H2,1H3,(H,24,25).

What are the key properties of 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one?

6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one has a molecular weight of 422.41 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(4-methoxyphenyl)-9-[5-(trifluoromethyl)-1H-pyrazole-3-carbonyl]-6,9-diazaspiro[4.5]decan-7-one is sourced from PubChem (CID 26352681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).