2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane

C14H20F3N3O3S — CID 166304187

IUPAC2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)CC2)C1
InChIInChI=1S/C14H20F3N3O3S/c1-19-9-11(12(18-19)14(15,16)17)24(21,22)20-5-3-13(4-6-20)7-10(8-13)23-2/h9-10H,3-8H2,1-2H3
InChIKeyZUEVICDNMIJBGW-UHFFFAOYSA-N
MW367.39 g/mol
LogP2.02
Rot. Bonds3

About 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane

2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane (PubChem CID 166304187) has the molecular formula C14H20F3N3O3S and a molecular weight of 367.39 g/mol. Its IUPAC name is 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane.

Molecular Properties

Compound Name2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane
PubChem CID166304187
Molecular FormulaC14H20F3N3O3S
Molecular Weight367.39 g/mol
Exact Mass367.12
IUPAC Name2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane
SMILESCOC1CC2(CCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)CC2)C1
InChIInChI=1S/C14H20F3N3O3S/c1-19-9-11(12(18-19)14(15,16)17)24(21,22)20-5-3-13(4-6-20)7-10(8-13)23-2/h9-10H,3-8H2,1-2H3
InChIKeyZUEVICDNMIJBGW-UHFFFAOYSA-N
XLogP2.02
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.39
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane?
The IUPAC name of 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane (CID 166304187) is 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane.
What is the SMILES notation for 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane?
The canonical SMILES for 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane is COC1CC2(CCN(S(=O)(=O)c3cn(C)nc3C(F)(F)F)CC2)C1.
What is the InChIKey of 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane?
The InChIKey is ZUEVICDNMIJBGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20F3N3O3S/c1-19-9-11(12(18-19)14(15,16)17)24(21,22)20-5-3-13(4-6-20)7-10(8-13)23-2/h9-10H,3-8H2,1-2H3.
What are the key properties of 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane?
2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane has a molecular weight of 367.39 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-7-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonyl-7-azaspiro[3.5]nonane is sourced from PubChem (CID 166304187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).