(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine

C15H15F4N3O3S — CID 164640225

IUPAC(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C15H15F4N3O3S/c1-21-8-13(14(20-21)15(17,18)19)26(23,24)22-5-6-25-9-12(22)10-3-2-4-11(16)7-10/h2-4,7-8,12H,5-6,9H2,1H3/t12-/m0/s1
InChIKeyMVOKNNXWOWLMQG-LBPRGKRZSA-N
MW393.36 g/mol
LogP2.34
Rot. Bonds3

About (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine

(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine (PubChem CID 164640225) has the molecular formula C15H15F4N3O3S and a molecular weight of 393.36 g/mol. Its IUPAC name is (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine.

Molecular Properties

Compound Name(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine
PubChem CID164640225
Molecular FormulaC15H15F4N3O3S
Molecular Weight393.36 g/mol
Exact Mass393.08
IUPAC Name(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine
SMILESCn1cc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c(C(F)(F)F)n1
InChIInChI=1S/C15H15F4N3O3S/c1-21-8-13(14(20-21)15(17,18)19)26(23,24)22-5-6-25-9-12(22)10-3-2-4-11(16)7-10/h2-4,7-8,12H,5-6,9H2,1H3/t12-/m0/s1
InChIKeyMVOKNNXWOWLMQG-LBPRGKRZSA-N
XLogP2.34
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.36
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine with MolForge

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

Launch Full Analysis

Related Compounds

1-Ethyl-3-methyl-N-[2-(morpholin-4-YL)-2-phenylethyl]pyrazole-4-sulfonamide
CID 19614785
4-[(1-methyl-1H-pyrazol-4-yl)sulfonyl]-2-phenylmorpholine
CID 71806577
4-benzyl-1-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}piperidine
CID 19614753
(3R)-3-(3-fluorophenyl)-4-[2-(methoxymethyl)pyrazol-3-yl]sulfonylmorpholine
CID 164634729
1-[(1,3-Dimethyl-1H-pyrazol-4-YL)sulfonyl]-3-phenyl-5-(trifluoromethyl)-4,5-dihydro-1H-pyrazol-5-OL
CID 19587811
4-[1-[(2-Fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 8668012
4-[1-[(2,3-Difluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]sulfonylmorpholine
CID 9473679
1-(difluoromethyl)-5-methyl-N-[2-(morpholin-4-yl)-2-phenylethyl]-1H-pyrazole-4-sulfonamide
CID 19614561
1-(2,3-difluorobenzyl)-4-{[1-(difluoromethyl)-3-methyl-1H-pyrazol-4-yl]sulfonyl}piperazine
CID 19614858
1-(difluoromethyl)-N-[2-(morpholin-4-yl)-2-phenylethyl]-1H-pyrazole-4-sulfonamide
CID 19614966
1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-3-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 46957565
1-(difluoromethyl)-N-(1-methoxypropan-2-yl)-5-methyl-N-[(3-methylphenyl)methyl]pyrazole-4-sulfonamide
CID 46957684

Frequently Asked Questions

What is the IUPAC name of (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine?
The IUPAC name of (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine (CID 164640225) is (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine.
What is the SMILES notation for (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine?
The canonical SMILES for (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine is Cn1cc(S(=O)(=O)N2CCOC[C@H]2c2cccc(F)c2)c(C(F)(F)F)n1.
What is the InChIKey of (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine?
The InChIKey is MVOKNNXWOWLMQG-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H15F4N3O3S/c1-21-8-13(14(20-21)15(17,18)19)26(23,24)22-5-6-25-9-12(22)10-3-2-4-11(16)7-10/h2-4,7-8,12H,5-6,9H2,1H3/t12-/m0/s1.
What are the key properties of (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine?
(3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine has a molecular weight of 393.36 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-(3-fluorophenyl)-4-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]sulfonylmorpholine is sourced from PubChem (CID 164640225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).