2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid

C14H15FN2O2S — CID 62407977

IUPAC2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
SMILESCCCc1cc(SCC(=O)O)n(-c2ccccc2F)n1
InChIInChI=1S/C14H15FN2O2S/c1-2-5-10-8-13(20-9-14(18)19)17(16-10)12-7-4-3-6-11(12)15/h3-4,6-8H,2,5,9H2,1H3,(H,18,19)
InChIKeyISUIHFCUZNHWJZ-UHFFFAOYSA-N
MW294.35 g/mol
LogP3.14
Rot. Bonds6

About 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid

2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid (PubChem CID 62407977) has the molecular formula C14H15FN2O2S and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid.

Molecular Properties

Compound Name2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
PubChem CID62407977
Molecular FormulaC14H15FN2O2S
Molecular Weight294.35 g/mol
Exact Mass294.08
IUPAC Name2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
SMILESCCCc1cc(SCC(=O)O)n(-c2ccccc2F)n1
InChIInChI=1S/C14H15FN2O2S/c1-2-5-10-8-13(20-9-14(18)19)17(16-10)12-7-4-3-6-11(12)15/h3-4,6-8H,2,5,9H2,1H3,(H,18,19)
InChIKeyISUIHFCUZNHWJZ-UHFFFAOYSA-N
XLogP3.14
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-ethyl-1-(2-fluorophenyl)pyrazol-5-yl]sulfanylacetic acid
CID 62408165
2-[1-(2-methylphenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409146
2-[1-(2-chlorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62409903
5-chloro-1-(2-fluorophenyl)-3-propylpyrazole
CID 66020942
1-(2-fluorophenyl)-3-propylpyrazol-5-amine
CID 82079514
2-[1-(5-bromo-2-pyridinyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 65349430
2-[1-(2-chlorophenyl)-3-(methoxymethyl)pyrazol-5-yl]sulfanylacetic acid
CID 62410089
2-(1-propan-2-yl-3-propylpyrazol-5-yl)sulfanylacetic acid
CID 62408184
2-[2-(2-bromophenyl)-5-methylpyrazol-3-yl]sulfanylacetic acid
CID 62408754
2-[1-(1-cyclopropylethyl)-3-propylpyrazol-5-yl]sulfanylacetic acid
CID 62408757
1-(2-fluorophenyl)-3-(2-phenylpropyl)-5-propylpyrazole-4-carboxylic acid
CID 5180327
2-[1-(2,5-dimethylphenyl)-3-(methoxymethyl)pyrazol-5-yl]sulfanylacetic acid
CID 62409141

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid?
The IUPAC name of 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid (CID 62407977) is 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid.
What is the SMILES notation for 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid?
The canonical SMILES for 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid is CCCc1cc(SCC(=O)O)n(-c2ccccc2F)n1.
What is the InChIKey of 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid?
The InChIKey is ISUIHFCUZNHWJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN2O2S/c1-2-5-10-8-13(20-9-14(18)19)17(16-10)12-7-4-3-6-11(12)15/h3-4,6-8H,2,5,9H2,1H3,(H,18,19).
What are the key properties of 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid?
2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid has a molecular weight of 294.35 g/mol, XLogP of 3.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2-fluorophenyl)-3-propylpyrazol-5-yl]sulfanylacetic acid is sourced from PubChem (CID 62407977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).