1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole

C11H11F3N2O2S — CID 129400184

IUPAC1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole
SMILESCc1occc1[S@@](=O)Cc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c1-7-9(3-4-18-7)19(17)6-8-5-15-16(2)10(8)11(12,13)14/h3-5H,6H2,1-2H3/t19-/m0/s1
InChIKeyJXRSHYICEOWFRU-IBGZPJMESA-N
MW292.28 g/mol
LogP2.65
Rot. Bonds3

About 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole

1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole (PubChem CID 129400184) has the molecular formula C11H11F3N2O2S and a molecular weight of 292.28 g/mol. Its IUPAC name is 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole
PubChem CID129400184
Molecular FormulaC11H11F3N2O2S
Molecular Weight292.28 g/mol
Exact Mass292.05
IUPAC Name1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole
SMILESCc1occc1[S@@](=O)Cc1cnn(C)c1C(F)(F)F
InChIInChI=1S/C11H11F3N2O2S/c1-7-9(3-4-18-7)19(17)6-8-5-15-16(2)10(8)11(12,13)14/h3-5H,6H2,1-2H3/t19-/m0/s1
InChIKeyJXRSHYICEOWFRU-IBGZPJMESA-N
XLogP2.65
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole 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

3-[(S)-(2,6-dimethylphenyl)methylsulfinyl]-2-methylfuran
CID 99828547
4-methyl-5-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]sulfinylmethyl]-1,3-thiazole
CID 167964684
1-methyl-4-(2-methylpropyl)-5-(trifluoromethyl)pyrazole
CID 178150124
5-methyl-2-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonyl]pyrimidine
CID 75471589
3-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1-phenylpyrazole
CID 129400192
2-(4-fluorophenyl)-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-1,3-oxazole
CID 129400180
2,6-dimethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methoxy]pyridine
CID 86798929
1-ethyl-4-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methylsulfonylmethyl]triazole
CID 166257966
4-[(1-ethylimidazol-2-yl)sulfonylmethyl]-1-methyl-5-(trifluoromethyl)pyrazole
CID 167853350
2-[methyl-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]amino]propanoic acid;hydrochloride
CID 119913007
5-tert-butyl-1-methyl-4-(2,2,2-trifluoroethyl)pyrazole
CID 155787889
1-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]pyrrolidine-2-carboxylic acid
CID 119908943

Frequently Asked Questions

What is the IUPAC name of 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole (CID 129400184) is 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole is Cc1occc1[S@@](=O)Cc1cnn(C)c1C(F)(F)F.
What is the InChIKey of 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole?
The InChIKey is JXRSHYICEOWFRU-IBGZPJMESA-N. The full InChI is InChI=1S/C11H11F3N2O2S/c1-7-9(3-4-18-7)19(17)6-8-5-15-16(2)10(8)11(12,13)14/h3-5H,6H2,1-2H3/t19-/m0/s1.
What are the key properties of 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole?
1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole has a molecular weight of 292.28 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-4-[[(S)-(2-methylfuran-3-yl)sulfinyl]methyl]-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 129400184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).