1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole

C12H14N2O3S — CID 2764679

IUPAC1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole
SMILESCC(Oc1ccccc1)c1ccnn1S(C)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-10(17-11-6-4-3-5-7-11)12-8-9-13-14(12)18(2,15)16/h3-10H,1-2H3
InChIKeyVXFYKJIHKOLIIH-UHFFFAOYSA-N
MW266.32 g/mol
LogP1.83
Rot. Bonds4

About 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole

1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole (PubChem CID 2764679) has the molecular formula C12H14N2O3S and a molecular weight of 266.32 g/mol. Its IUPAC name is 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole.

Molecular Properties

Compound Name1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole
PubChem CID2764679
Molecular FormulaC12H14N2O3S
Molecular Weight266.32 g/mol
Exact Mass266.07
IUPAC Name1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole
SMILESCC(Oc1ccccc1)c1ccnn1S(C)(=O)=O
InChIInChI=1S/C12H14N2O3S/c1-10(17-11-6-4-3-5-7-11)12-8-9-13-14(12)18(2,15)16/h3-10H,1-2H3
InChIKeyVXFYKJIHKOLIIH-UHFFFAOYSA-N
XLogP1.83
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.32
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole?
The IUPAC name of 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole (CID 2764679) is 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole.
What is the SMILES notation for 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole?
The canonical SMILES for 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole is CC(Oc1ccccc1)c1ccnn1S(C)(=O)=O.
What is the InChIKey of 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole?
The InChIKey is VXFYKJIHKOLIIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O3S/c1-10(17-11-6-4-3-5-7-11)12-8-9-13-14(12)18(2,15)16/h3-10H,1-2H3.
What are the key properties of 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole?
1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole has a molecular weight of 266.32 g/mol, XLogP of 1.83, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylsulfonyl-5-(1-phenoxyethyl)pyrazole is sourced from PubChem (CID 2764679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).