1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole

C15H17FN2O2S — CID 64779328

IUPAC1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole
SMILESO=S(=O)(Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c16-12-5-7-15(8-6-12)21(19,20)11-13-9-10-18(17-13)14-3-1-2-4-14/h5-10,14H,1-4,11H2
InChIKeyVGZJMIRXSSRZNS-UHFFFAOYSA-N
MW308.38 g/mol
LogP3.11
Rot. Bonds4

About 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole

1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole (PubChem CID 64779328) has the molecular formula C15H17FN2O2S and a molecular weight of 308.38 g/mol. Its IUPAC name is 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole.

Molecular Properties

Compound Name1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole
PubChem CID64779328
Molecular FormulaC15H17FN2O2S
Molecular Weight308.38 g/mol
Exact Mass308.10
IUPAC Name1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole
SMILESO=S(=O)(Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1
InChIInChI=1S/C15H17FN2O2S/c16-12-5-7-15(8-6-12)21(19,20)11-13-9-10-18(17-13)14-3-1-2-4-14/h5-10,14H,1-4,11H2
InChIKeyVGZJMIRXSSRZNS-UHFFFAOYSA-N
XLogP3.11
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole?
The IUPAC name of 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole (CID 64779328) is 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole.
What is the SMILES notation for 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole?
The canonical SMILES for 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole is O=S(=O)(Cc1ccn(C2CCCC2)n1)c1ccc(F)cc1.
What is the InChIKey of 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole?
The InChIKey is VGZJMIRXSSRZNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN2O2S/c16-12-5-7-15(8-6-12)21(19,20)11-13-9-10-18(17-13)14-3-1-2-4-14/h5-10,14H,1-4,11H2.
What are the key properties of 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole?
1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole has a molecular weight of 308.38 g/mol, XLogP of 3.11, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-3-[(4-fluorophenyl)sulfonylmethyl]pyrazole is sourced from PubChem (CID 64779328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).