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

C16H19F2N3O3S — CID 133282030

IUPAC4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(CC2CN(c3ccc(S(=O)(=O)C(F)F)cc3)CCO2)c1
InChIInChI=1S/C16H19F2N3O3S/c1-12-8-19-21(9-12)11-14-10-20(6-7-24-14)13-2-4-15(5-3-13)25(22,23)16(17)18/h2-5,8-9,14,16H,6-7,10-11H2,1H3
InChIKeyLFFNNRVHDVYCRM-UHFFFAOYSA-N
MW371.41 g/mol
LogP2.09
Rot. Bonds5

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

4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (PubChem CID 133282030) has the molecular formula C16H19F2N3O3S and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.

Molecular Properties

Compound Name4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
PubChem CID133282030
Molecular FormulaC16H19F2N3O3S
Molecular Weight371.41 g/mol
Exact Mass371.11
IUPAC Name4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine
SMILESCc1cnn(CC2CN(c3ccc(S(=O)(=O)C(F)F)cc3)CCO2)c1
InChIInChI=1S/C16H19F2N3O3S/c1-12-8-19-21(9-12)11-14-10-20(6-7-24-14)13-2-4-15(5-3-13)25(22,23)16(17)18/h2-5,8-9,14,16H,6-7,10-11H2,1H3
InChIKeyLFFNNRVHDVYCRM-UHFFFAOYSA-N
XLogP2.09
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The IUPAC name of 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine (CID 133282030) is 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine.
What is the SMILES notation for 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The canonical SMILES for 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is Cc1cnn(CC2CN(c3ccc(S(=O)(=O)C(F)F)cc3)CCO2)c1.
What is the InChIKey of 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
The InChIKey is LFFNNRVHDVYCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O3S/c1-12-8-19-21(9-12)11-14-10-20(6-7-24-14)13-2-4-15(5-3-13)25(22,23)16(17)18/h2-5,8-9,14,16H,6-7,10-11H2,1H3.
What are the key properties of 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine?
4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine has a molecular weight of 371.41 g/mol, XLogP of 2.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(difluoromethylsulfonyl)phenyl]-2-[(4-methylpyrazol-1-yl)methyl]morpholine is sourced from PubChem (CID 133282030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).