3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine

C15H18F3N3O4S — CID 131916235

IUPAC3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine
SMILESCOC1CCCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)oc2C)C1
InChIInChI=1S/C15H18F3N3O4S/c1-9-13(26(22,23)21-5-3-4-10(8-21)24-2)7-12(25-9)11-6-14(20-19-11)15(16,17)18/h6-7,10H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyNZTZBSNFWKDHHI-UHFFFAOYSA-N
MW393.39 g/mol
LogP2.80
Rot. Bonds4

About 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine

3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine (PubChem CID 131916235) has the molecular formula C15H18F3N3O4S and a molecular weight of 393.39 g/mol. Its IUPAC name is 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine.

Molecular Properties

Compound Name3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine
PubChem CID131916235
Molecular FormulaC15H18F3N3O4S
Molecular Weight393.39 g/mol
Exact Mass393.10
IUPAC Name3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine
SMILESCOC1CCCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)oc2C)C1
InChIInChI=1S/C15H18F3N3O4S/c1-9-13(26(22,23)21-5-3-4-10(8-21)24-2)7-12(25-9)11-6-14(20-19-11)15(16,17)18/h6-7,10H,3-5,8H2,1-2H3,(H,19,20)
InChIKeyNZTZBSNFWKDHHI-UHFFFAOYSA-N
XLogP2.80
TPSA88.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-methyl-5-(1H-pyrazol-5-yl)furan-3-yl]sulfonyl-3-propoxypiperidine
CID 131940046
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CID 102955371
[4-(3-methoxypiperidin-1-yl)sulfonyl-5-methylthiophen-2-yl]methanol
CID 102970827
1-[5-(chloromethyl)-2,3-dimethylphenyl]sulfonyl-3-methoxypiperidine
CID 102969093
[3-fluoro-5-(3-methoxypiperidin-1-yl)sulfonyl-4-methylphenyl]methanamine
CID 102971771
2-bromo-4-fluoro-5-(3-methoxypiperidin-1-yl)sulfonylaniline
CID 102955323
1-[3-(chloromethyl)-2,4-difluorophenyl]sulfonyl-3-methoxypiperidine
CID 102969102
5-[2-(3-methoxypyrrolidin-1-yl)sulfonyl-4,5-dimethylphenyl]-2-(trifluoromethyl)pyridine
CID 171907820
4-(3-hydroxypiperidin-1-yl)sulfonyl-5-methylfuran-2-carboxylic acid
CID 62804142
3-methoxy-1-naphthalen-1-ylsulfonylpiperidine
CID 103740922
3-(3-methoxypiperidin-1-yl)sulfonyl-1H-indol-6-amine
CID 102955337
(4R)-1-[2-methyl-5-(1,2-oxazol-5-yl)furan-3-yl]sulfonylazepan-4-amine
CID 95717272

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine?
The IUPAC name of 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine (CID 131916235) is 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine.
What is the SMILES notation for 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine?
The canonical SMILES for 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine is COC1CCCN(S(=O)(=O)c2cc(-c3cc(C(F)(F)F)[nH]n3)oc2C)C1.
What is the InChIKey of 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine?
The InChIKey is NZTZBSNFWKDHHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O4S/c1-9-13(26(22,23)21-5-3-4-10(8-21)24-2)7-12(25-9)11-6-14(20-19-11)15(16,17)18/h6-7,10H,3-5,8H2,1-2H3,(H,19,20).
What are the key properties of 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine?
3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine has a molecular weight of 393.39 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-1-[2-methyl-5-[5-(trifluoromethyl)-1H-pyrazol-3-yl]furan-3-yl]sulfonylpiperidine is sourced from PubChem (CID 131916235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).