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

C16H18F3N3O3S — CID 133282027

IUPAC2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESCc1cnn(CC2CN(c3ccccc3S(=O)(=O)C(F)(F)F)CCO2)c1
InChIInChI=1S/C16H18F3N3O3S/c1-12-8-20-22(9-12)11-13-10-21(6-7-25-13)14-4-2-3-5-15(14)26(23,24)16(17,18)19/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyACBSWALOVSNPNM-UHFFFAOYSA-N
MW389.40 g/mol
LogP2.39
Rot. Bonds4

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

2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (PubChem CID 133282027) has the molecular formula C16H18F3N3O3S and a molecular weight of 389.40 g/mol. Its IUPAC name is 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.

Molecular Properties

Compound Name2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
PubChem CID133282027
Molecular FormulaC16H18F3N3O3S
Molecular Weight389.40 g/mol
Exact Mass389.10
IUPAC Name2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine
SMILESCc1cnn(CC2CN(c3ccccc3S(=O)(=O)C(F)(F)F)CCO2)c1
InChIInChI=1S/C16H18F3N3O3S/c1-12-8-20-22(9-12)11-13-10-21(6-7-25-13)14-4-2-3-5-15(14)26(23,24)16(17,18)19/h2-5,8-9,13H,6-7,10-11H2,1H3
InChIKeyACBSWALOVSNPNM-UHFFFAOYSA-N
XLogP2.39
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.40
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The IUPAC name of 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine (CID 133282027) is 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine.
What is the SMILES notation for 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The canonical SMILES for 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is Cc1cnn(CC2CN(c3ccccc3S(=O)(=O)C(F)(F)F)CCO2)c1.
What is the InChIKey of 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
The InChIKey is ACBSWALOVSNPNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18F3N3O3S/c1-12-8-20-22(9-12)11-13-10-21(6-7-25-13)14-4-2-3-5-15(14)26(23,24)16(17,18)19/h2-5,8-9,13H,6-7,10-11H2,1H3.
What are the key properties of 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine?
2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine has a molecular weight of 389.40 g/mol, XLogP of 2.39, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylpyrazol-1-yl)methyl]-4-[2-(trifluoromethylsulfonyl)phenyl]morpholine is sourced from PubChem (CID 133282027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).