1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole

C10H9F3N2O2S2 — CID 21349801

IUPAC1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(S(C)(=O)=O)s2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2S2/c1-15-8(10(11,12)13)5-6(14-15)7-3-4-9(18-7)19(2,16)17/h3-5H,1-2H3
InChIKeyQPDJARQTPMHRAM-UHFFFAOYSA-N
MW310.32 g/mol
LogP2.57
Rot. Bonds2

About 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole

1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole (PubChem CID 21349801) has the molecular formula C10H9F3N2O2S2 and a molecular weight of 310.32 g/mol. Its IUPAC name is 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
PubChem CID21349801
Molecular FormulaC10H9F3N2O2S2
Molecular Weight310.32 g/mol
Exact Mass310.01
IUPAC Name1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole
SMILESCn1nc(-c2ccc(S(C)(=O)=O)s2)cc1C(F)(F)F
InChIInChI=1S/C10H9F3N2O2S2/c1-15-8(10(11,12)13)5-6(14-15)7-3-4-9(18-7)19(2,16)17/h3-5H,1-2H3
InChIKeyQPDJARQTPMHRAM-UHFFFAOYSA-N
XLogP2.57
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
The IUPAC name of 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole (CID 21349801) is 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole is Cn1nc(-c2ccc(S(C)(=O)=O)s2)cc1C(F)(F)F.
What is the InChIKey of 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
The InChIKey is QPDJARQTPMHRAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9F3N2O2S2/c1-15-8(10(11,12)13)5-6(14-15)7-3-4-9(18-7)19(2,16)17/h3-5H,1-2H3.
What are the key properties of 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole?
1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole has a molecular weight of 310.32 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-(5-methylsulfonylthiophen-2-yl)-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 21349801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).