(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole

C14H16N2O3S2 — CID 52502986

IUPAC(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1cc(C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)c(C)o1
InChIInChI=1S/C14H16N2O3S2/c1-9-7-11(10(2)19-9)12-8-13(14-5-4-6-20-14)16(15-12)21(3,17)18/h4-7,13H,8H2,1-3H3/t13-/m1/s1
InChIKeyKBMAOBPOSLEVTN-CYBMUJFWSA-N
MW324.43 g/mol
LogP3.07
Rot. Bonds3

About (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole

(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 52502986) has the molecular formula C14H16N2O3S2 and a molecular weight of 324.43 g/mol. Its IUPAC name is (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID52502986
Molecular FormulaC14H16N2O3S2
Molecular Weight324.43 g/mol
Exact Mass324.06
IUPAC Name(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCc1cc(C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)c(C)o1
InChIInChI=1S/C14H16N2O3S2/c1-9-7-11(10(2)19-9)12-8-13(14-5-4-6-20-14)16(15-12)21(3,17)18/h4-7,13H,8H2,1-3H3/t13-/m1/s1
InChIKeyKBMAOBPOSLEVTN-CYBMUJFWSA-N
XLogP3.07
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.43
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole with MolForge

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Related Compounds

5-(2-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 119038816
(3S)-5-(3-methylphenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 124740412
(3R)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 846221
6-[(3S)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3,4-dihydropyrazol-3-yl]quinoxaline
CID 42568714
(3S)-5-(4-chlorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 949479
5-(4-chloro-3-fluorophenyl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
CID 72716837
3-(1,3-benzodioxol-5-yl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 3163685
(3R)-3-(4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 949055
6-chloro-3-(2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazol-5-yl)-4-phenyl-6H-quinolin-2-one
CID 156591367
3-(2,4-dimethoxyphenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 71906206
(3R)-5-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-2-methylsulfonyl-3,4-dihydropyrazole
CID 97309764
(3R)-3-(2-chloro-4-fluorophenyl)-2-methylsulfonyl-5-thiophen-2-yl-3,4-dihydropyrazole
CID 99803096

Frequently Asked Questions

What is the IUPAC name of (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 52502986) is (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is Cc1cc(C2=NN(S(C)(=O)=O)[C@@H](c3cccs3)C2)c(C)o1.
What is the InChIKey of (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is KBMAOBPOSLEVTN-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H16N2O3S2/c1-9-7-11(10(2)19-9)12-8-13(14-5-4-6-20-14)16(15-12)21(3,17)18/h4-7,13H,8H2,1-3H3/t13-/m1/s1.
What are the key properties of (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
(3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 324.43 g/mol, XLogP of 3.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-(2,5-dimethylfuran-3-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 52502986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).