(5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole

C18H20N2O3S — CID 138980793

IUPAC(5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole
SMILESC=C(C)[C@@]1(C)CC(c2ccco2)=NN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3S/c1-13(2)18(4)12-16(17-6-5-11-23-17)19-20(18)24(21,22)15-9-7-14(3)8-10-15/h5-11H,1,12H2,2-4H3/t18-/m1/s1
InChIKeyCIFYYVKLCXXHJN-GOSISDBHSA-N
MW344.44 g/mol
LogP3.72
Rot. Bonds4

About (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole

(5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole (PubChem CID 138980793) has the molecular formula C18H20N2O3S and a molecular weight of 344.44 g/mol. Its IUPAC name is (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole.

Molecular Properties

Compound Name(5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole
PubChem CID138980793
Molecular FormulaC18H20N2O3S
Molecular Weight344.44 g/mol
Exact Mass344.12
IUPAC Name(5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole
SMILESC=C(C)[C@@]1(C)CC(c2ccco2)=NN1S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C18H20N2O3S/c1-13(2)18(4)12-16(17-6-5-11-23-17)19-20(18)24(21,22)15-9-7-14(3)8-10-15/h5-11H,1,12H2,2-4H3/t18-/m1/s1
InChIKeyCIFYYVKLCXXHJN-GOSISDBHSA-N
XLogP3.72
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(5R)-3-benzyl-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole
CID 138980794
1-[2-methyl-1-(4-methylphenyl)sulfonylaziridin-2-yl]ethanone
CID 134896821
imino-(4-methylphenyl)-oxo-[(5R)-2,2,5-trimethyl-5-prop-1-en-2-ylpyrrolidin-1-yl]-λ6-sulfane
CID 166651440
[(3R)-3,5-bis(furan-2-yl)-3,4-dihydropyrazol-2-yl]-(4-methylphenyl)methanone
CID 7164021
(2R,3S)-3-methyl-1-(4-methylphenyl)sulfonyl-3-prop-1-en-2-yl-2-prop-2-enylpyrrolidine
CID 102456735
N-[(1S)-2-(furan-2-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]acetamide
CID 34360301
trimethyl-[1-[1-(4-methylphenyl)sulfonylpiperidin-4-yl]ethenyl]silane
CID 102254531
(3R)-2-(4-chlorophenyl)sulfonyl-3-(furan-2-yl)-5-(4-methylphenyl)-3,4-dihydropyrazole
CID 7407875
1-[4-(furan-2-yl)phenyl]sulfonyl-4-methylpiperidine
CID 168527732
2-(furan-2-yl)-6-methyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]quinazoline
CID 83277241
4-(furan-2-yl)-2,2-dimethyl-5H-1,3-oxazole
CID 141062417
(4S)-4-hydroxy-5,5-dimethyl-1-(4-methylphenyl)sulfonylpyrrolidin-3-one
CID 101404102

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole?
The IUPAC name of (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole (CID 138980793) is (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole.
What is the SMILES notation for (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole?
The canonical SMILES for (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole is C=C(C)[C@@]1(C)CC(c2ccco2)=NN1S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole?
The InChIKey is CIFYYVKLCXXHJN-GOSISDBHSA-N. The full InChI is InChI=1S/C18H20N2O3S/c1-13(2)18(4)12-16(17-6-5-11-23-17)19-20(18)24(21,22)15-9-7-14(3)8-10-15/h5-11H,1,12H2,2-4H3/t18-/m1/s1.
What are the key properties of (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole?
(5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole has a molecular weight of 344.44 g/mol, XLogP of 3.72, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(furan-2-yl)-5-methyl-1-(4-methylphenyl)sulfonyl-5-prop-1-en-2-yl-4H-pyrazole is sourced from PubChem (CID 138980793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).