2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine

C16H18F3N3O3S — CID 133365030

IUPAC2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESCn1cc(C2(C)CN(c3ccccc3S(=O)(=O)C(F)(F)F)CCO2)cn1
InChIInChI=1S/C16H18F3N3O3S/c1-15(12-9-20-21(2)10-12)11-22(7-8-25-15)13-5-3-4-6-14(13)26(23,24)16(17,18)19/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyOHZTUAGRWOEUKZ-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.47
Rot. Bonds3

About 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine

2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (PubChem CID 133365030) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
PubChem CID133365030
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESCn1cc(C2(C)CN(c3ccccc3S(=O)(=O)C(F)(F)F)CCO2)cn1
InChIInChI=1S/C16H18F3N3O3S/c1-15(12-9-20-21(2)10-12)11-22(7-8-25-15)13-5-3-4-6-14(13)26(23,24)16(17,18)19/h3-6,9-10H,7-8,11H2,1-2H3
InChIKeyOHZTUAGRWOEUKZ-UHFFFAOYSA-N
XLogP2.47
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The IUPAC name of 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (CID 133365030) is 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.
What is the SMILES notation for 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The canonical SMILES for 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is Cn1cc(C2(C)CN(c3ccccc3S(=O)(=O)C(F)(F)F)CCO2)cn1.
What is the InChIKey of 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The InChIKey is OHZTUAGRWOEUKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-15(12-9-20-21(2)10-12)11-22(7-8-25-15)13-5-3-4-6-14(13)26(23,24)16(17,18)19/h3-6,9-10H,7-8,11H2,1-2H3.
What are the key properties of 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine has a molecular weight of 389.40 g/mol, XLogP of 2.47, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-(1-methylpyrazol-4-yl)-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is sourced from PubChem (CID 133365030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).