(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole

C12H12N2O3S2 — CID 846222

IUPAC(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1
InChIInChI=1S/C12H12N2O3S2/c1-19(15,16)14-10(12-5-3-7-18-12)8-9(13-14)11-4-2-6-17-11/h2-7,10H,8H2,1H3/t10-/m0/s1
InChIKeyMWTUWUFRTCNSHY-JTQLQIEISA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds3

About (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole

(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (PubChem CID 846222) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
PubChem CID846222
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1
InChIInChI=1S/C12H12N2O3S2/c1-19(15,16)14-10(12-5-3-7-18-12)8-9(13-14)11-4-2-6-17-11/h2-7,10H,8H2,1H3/t10-/m0/s1
InChIKeyMWTUWUFRTCNSHY-JTQLQIEISA-N
XLogP2.45
TPSA62.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The IUPAC name of (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole (CID 846222) is (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole.
What is the SMILES notation for (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The canonical SMILES for (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccco2)C[C@H]1c1cccs1.
What is the InChIKey of (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
The InChIKey is MWTUWUFRTCNSHY-JTQLQIEISA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-19(15,16)14-10(12-5-3-7-18-12)8-9(13-14)11-4-2-6-17-11/h2-7,10H,8H2,1H3/t10-/m0/s1.
What are the key properties of (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole?
(3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole has a molecular weight of 296.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-5-(furan-2-yl)-2-methylsulfonyl-3-thiophen-2-yl-3,4-dihydropyrazole is sourced from PubChem (CID 846222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).