1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole

C9H11FN4O2S — CID 146106599

IUPAC1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole
SMILESO=S(=O)(Cc1cnn(CCF)c1)c1ncc[nH]1
InChIInChI=1S/C9H11FN4O2S/c10-1-4-14-6-8(5-13-14)7-17(15,16)9-11-2-3-12-9/h2-3,5-6H,1,4,7H2,(H,11,12)
InChIKeyWIQQZRAKKBXNJR-UHFFFAOYSA-N
MW258.28 g/mol
LogP0.55
Rot. Bonds5

About 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole

1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole (PubChem CID 146106599) has the molecular formula C9H11FN4O2S and a molecular weight of 258.28 g/mol. Its IUPAC name is 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole.

Molecular Properties

Compound Name1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole
PubChem CID146106599
Molecular FormulaC9H11FN4O2S
Molecular Weight258.28 g/mol
Exact Mass258.06
IUPAC Name1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole
SMILESO=S(=O)(Cc1cnn(CCF)c1)c1ncc[nH]1
InChIInChI=1S/C9H11FN4O2S/c10-1-4-14-6-8(5-13-14)7-17(15,16)9-11-2-3-12-9/h2-3,5-6H,1,4,7H2,(H,11,12)
InChIKeyWIQQZRAKKBXNJR-UHFFFAOYSA-N
XLogP0.55
TPSA80.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 50.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole?
The IUPAC name of 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole (CID 146106599) is 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole.
What is the SMILES notation for 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole?
The canonical SMILES for 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole is O=S(=O)(Cc1cnn(CCF)c1)c1ncc[nH]1.
What is the InChIKey of 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole?
The InChIKey is WIQQZRAKKBXNJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11FN4O2S/c10-1-4-14-6-8(5-13-14)7-17(15,16)9-11-2-3-12-9/h2-3,5-6H,1,4,7H2,(H,11,12).
What are the key properties of 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole?
1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole has a molecular weight of 258.28 g/mol, XLogP of 0.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluoroethyl)-4-(1H-imidazol-2-ylsulfonylmethyl)pyrazole is sourced from PubChem (CID 146106599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).