5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine

C21H16F3N3O3S — CID 10275481

IUPAC5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nc2)ccc1-c1ccco1
InChIInChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)15-6-8-20(25-12-15)31(2,28)29/h3-12H,1-2H3
InChIKeyMZABXGITJQSXAD-UHFFFAOYSA-N
MW447.44 g/mol
LogP4.93
Rot. Bonds4

About 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine

5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine (PubChem CID 10275481) has the molecular formula C21H16F3N3O3S and a molecular weight of 447.44 g/mol. Its IUPAC name is 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine.

Molecular Properties

Compound Name5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine
PubChem CID10275481
Molecular FormulaC21H16F3N3O3S
Molecular Weight447.44 g/mol
Exact Mass447.09
IUPAC Name5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine
SMILESCc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nc2)ccc1-c1ccco1
InChIInChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)15-6-8-20(25-12-15)31(2,28)29/h3-12H,1-2H3
InChIKeyMZABXGITJQSXAD-UHFFFAOYSA-N
XLogP4.93
TPSA77.99 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.44
LogP ≤ 54.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine 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

2-(5-(3-fluoro-4-(furan-2-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10114889
2-(5-(4-(furan-2-yl)-3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10182188
2-(3-(difluoromethyl)-5-(3-fluoro-4-(furan-2-yl)phenyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10203145
2-(5-(4-(furan-2-yl)phenyl)-3-(trifluoromethyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 10274472
2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzonitrile
CID 18768839
2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzamide
CID 20601426
2-(3-(difluoromethyl)-5-(4-(furan-2-yl)phenyl)-1H-pyrazol-1-yl)-5-(methylsulfonyl)pyridine
CID 20601429
methyl 2-(furan-2-yl)-5-(1-(5-(methylsulfonyl)pyridin-2-yl)-3-(trifluoromethyl)-1H-pyrazol-5-yl)benzoate
CID 20601457
5-[5-[4-(Furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
CID 9824231
5-[5-[3-Chloro-4-(furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]pyridine-2-sulfonamide
CID 10183583
5-[5-[4-(Furan-2-yl)phenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine
CID 12114159
5-[4-(Furan-2-yl)phenyl]-1-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazole
CID 15908389

Frequently Asked Questions

What is the IUPAC name of 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine?
The IUPAC name of 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine (CID 10275481) is 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine.
What is the SMILES notation for 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine?
The canonical SMILES for 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine is Cc1cc(-c2cc(C(F)(F)F)nn2-c2ccc(S(C)(=O)=O)nc2)ccc1-c1ccco1.
What is the InChIKey of 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine?
The InChIKey is MZABXGITJQSXAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16F3N3O3S/c1-13-10-14(5-7-16(13)18-4-3-9-30-18)17-11-19(21(22,23)24)26-27(17)15-6-8-20(25-12-15)31(2,28)29/h3-12H,1-2H3.
What are the key properties of 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine?
5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine has a molecular weight of 447.44 g/mol, XLogP of 4.93, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[4-(furan-2-yl)-3-methylphenyl]-3-(trifluoromethyl)pyrazol-1-yl]-2-methylsulfonylpyridine is sourced from PubChem (CID 10275481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).