2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid

C14H13FN2O2S — CID 63354270

IUPAC2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1cc(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c15-10-3-5-11(6-4-10)17-13(20-8-14(18)19)7-12(16-17)9-1-2-9/h3-7,9H,1-2,8H2,(H,18,19)
InChIKeyKQWUZAZLCCTSSS-UHFFFAOYSA-N
MW292.33 g/mol
LogP3.07
Rot. Bonds5

About 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid

2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid (PubChem CID 63354270) has the molecular formula C14H13FN2O2S and a molecular weight of 292.33 g/mol. Its IUPAC name is 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
PubChem CID63354270
Molecular FormulaC14H13FN2O2S
Molecular Weight292.33 g/mol
Exact Mass292.07
IUPAC Name2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
SMILESO=C(O)CSc1cc(C2CC2)nn1-c1ccc(F)cc1
InChIInChI=1S/C14H13FN2O2S/c15-10-3-5-11(6-4-10)17-13(20-8-14(18)19)7-12(16-17)9-1-2-9/h3-7,9H,1-2,8H2,(H,18,19)
InChIKeyKQWUZAZLCCTSSS-UHFFFAOYSA-N
XLogP3.07
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.33
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid (CID 63354270) is 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid is O=C(O)CSc1cc(C2CC2)nn1-c1ccc(F)cc1.
What is the InChIKey of 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid?
The InChIKey is KQWUZAZLCCTSSS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S/c15-10-3-5-11(6-4-10)17-13(20-8-14(18)19)7-12(16-17)9-1-2-9/h3-7,9H,1-2,8H2,(H,18,19).
What are the key properties of 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid?
2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid has a molecular weight of 292.33 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-cyclopropyl-1-(4-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 63354270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).