4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole

C11H13F3N4O2S — CID 166266946

IUPAC4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCn1nccc1CS(=O)(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2S/c1-3-18-8(4-5-15-18)7-21(19,20)9-6-16-17(2)10(9)11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyIZDHSHROXDWDAG-UHFFFAOYSA-N
MW322.31 g/mol
LogP1.63
Rot. Bonds4

About 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole

4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole (PubChem CID 166266946) has the molecular formula C11H13F3N4O2S and a molecular weight of 322.31 g/mol. Its IUPAC name is 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole.

Molecular Properties

Compound Name4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole
PubChem CID166266946
Molecular FormulaC11H13F3N4O2S
Molecular Weight322.31 g/mol
Exact Mass322.07
IUPAC Name4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole
SMILESCCn1nccc1CS(=O)(=O)c1cnn(C)c1C(F)(F)F
InChIInChI=1S/C11H13F3N4O2S/c1-3-18-8(4-5-15-18)7-21(19,20)9-6-16-17(2)10(9)11(12,13)14/h4-6H,3,7H2,1-2H3
InChIKeyIZDHSHROXDWDAG-UHFFFAOYSA-N
XLogP1.63
TPSA69.78 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.31
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The IUPAC name of 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole (CID 166266946) is 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole.
What is the SMILES notation for 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The canonical SMILES for 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole is CCn1nccc1CS(=O)(=O)c1cnn(C)c1C(F)(F)F.
What is the InChIKey of 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole?
The InChIKey is IZDHSHROXDWDAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13F3N4O2S/c1-3-18-8(4-5-15-18)7-21(19,20)9-6-16-17(2)10(9)11(12,13)14/h4-6H,3,7H2,1-2H3.
What are the key properties of 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole?
4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole has a molecular weight of 322.31 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-ethylpyrazol-3-yl)methylsulfonyl]-1-methyl-5-(trifluoromethyl)pyrazole is sourced from PubChem (CID 166266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).