3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide

C15H25F3N4O3S — CID 75475542

IUPAC3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C1COCCN1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C15H25F3N4O3S/c1-10(2)20(5)26(23,24)22-6-7-25-8-13(22)14-11(3)19-21(12(14)4)9-15(16,17)18/h10,13H,6-9H2,1-5H3
InChIKeyBUNGXRITWYCBNC-UHFFFAOYSA-N
MW398.45 g/mol
LogP2.02
Rot. Bonds5

About 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide

3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide (PubChem CID 75475542) has the molecular formula C15H25F3N4O3S and a molecular weight of 398.45 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide
PubChem CID75475542
Molecular FormulaC15H25F3N4O3S
Molecular Weight398.45 g/mol
Exact Mass398.16
IUPAC Name3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide
SMILESCc1nn(CC(F)(F)F)c(C)c1C1COCCN1S(=O)(=O)N(C)C(C)C
InChIInChI=1S/C15H25F3N4O3S/c1-10(2)20(5)26(23,24)22-6-7-25-8-13(22)14-11(3)19-21(12(14)4)9-15(16,17)18/h10,13H,6-9H2,1-5H3
InChIKeyBUNGXRITWYCBNC-UHFFFAOYSA-N
XLogP2.02
TPSA67.67 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.45
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N,N-diethyl-3-(1,3,5-trimethylpyrazol-4-yl)morpholine-4-carboxamide
CID 118740638
3-(trimethyl-1H-pyrazol-4-yl)morpholine
CID 71695346
N-[(1S)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]morpholine-4-sulfonamide
CID 129612663
1-[(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)methyl]-4-(morpholin-4-ylsulfonyl)-1,4-diazepane
CID 129622228
4,5-Dimethyl-1-(oxan-4-yl)-3-(trifluoromethyl)pyrazole
CID 142466592
4-[2-[4,5-Dimethyl-3-(trifluoromethyl)pyrazol-1-yl]ethyl]morpholine
CID 142466663
1-[2-(Difluoromethoxy)ethyl]-3,4,5-trimethylpyrazole
CID 166473864
3,4,5-Trimethyl-1-[2-(trifluoromethoxy)ethyl]pyrazole
CID 179054311
3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)-1H-pyrazol-4-yl]morpholine
CID 75451482
1-[3-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]morpholin-4-yl]-3-methylbutan-1-one
CID 75475497
3-[3,5-Dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-4-propylsulfonylmorpholine
CID 75475541
3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N,N-diethylmorpholine-4-carboxamide
CID 75475544

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide?
The IUPAC name of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide (CID 75475542) is 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide is Cc1nn(CC(F)(F)F)c(C)c1C1COCCN1S(=O)(=O)N(C)C(C)C.
What is the InChIKey of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide?
The InChIKey is BUNGXRITWYCBNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25F3N4O3S/c1-10(2)20(5)26(23,24)22-6-7-25-8-13(22)14-11(3)19-21(12(14)4)9-15(16,17)18/h10,13H,6-9H2,1-5H3.
What are the key properties of 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide?
3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide has a molecular weight of 398.45 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]-N-methyl-N-propan-2-ylmorpholine-4-sulfonamide is sourced from PubChem (CID 75475542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).