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

C12H12N2O3S2 — CID 91624029

IUPAC3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccsc2)CC1c1ccco1
InChIInChI=1S/C12H12N2O3S2/c1-19(15,16)14-11(12-3-2-5-17-12)7-10(13-14)9-4-6-18-8-9/h2-6,8,11H,7H2,1H3
InChIKeyPOJLTNQHNXFIFY-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.45
Rot. Bonds3

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

3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole (PubChem CID 91624029) has the molecular formula C12H12N2O3S2 and a molecular weight of 296.37 g/mol. Its IUPAC name is 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole.

Molecular Properties

Compound Name3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
PubChem CID91624029
Molecular FormulaC12H12N2O3S2
Molecular Weight296.37 g/mol
Exact Mass296.03
IUPAC Name3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole
SMILESCS(=O)(=O)N1N=C(c2ccsc2)CC1c1ccco1
InChIInChI=1S/C12H12N2O3S2/c1-19(15,16)14-11(12-3-2-5-17-12)7-10(13-14)9-4-6-18-8-9/h2-6,8,11H,7H2,1H3
InChIKeyPOJLTNQHNXFIFY-UHFFFAOYSA-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 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
The IUPAC name of 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole (CID 91624029) is 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole.
What is the SMILES notation for 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
The canonical SMILES for 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole is CS(=O)(=O)N1N=C(c2ccsc2)CC1c1ccco1.
What is the InChIKey of 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
The InChIKey is POJLTNQHNXFIFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3S2/c1-19(15,16)14-11(12-3-2-5-17-12)7-10(13-14)9-4-6-18-8-9/h2-6,8,11H,7H2,1H3.
What are the key properties of 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole?
3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-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 3-(furan-2-yl)-2-methylsulfonyl-5-thiophen-3-yl-3,4-dihydropyrazole is sourced from PubChem (CID 91624029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).