2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid

C19H17FN2O2 — CID 170835887

IUPAC2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cnn(CCc3ccccc3)c2)cc1F
InChIInChI=1S/C19H17FN2O2/c20-18-10-15(6-7-16(18)11-19(23)24)17-12-21-22(13-17)9-8-14-4-2-1-3-5-14/h1-7,10,12-13H,8-9,11H2,(H,23,24)
InChIKeyAPWIRXXBBJPUHJ-UHFFFAOYSA-N
MW324.36 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid

2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid (PubChem CID 170835887) has the molecular formula C19H17FN2O2 and a molecular weight of 324.36 g/mol. Its IUPAC name is 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid.

Molecular Properties

Compound Name2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
PubChem CID170835887
Molecular FormulaC19H17FN2O2
Molecular Weight324.36 g/mol
Exact Mass324.13
IUPAC Name2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid
SMILESO=C(O)Cc1ccc(-c2cnn(CCc3ccccc3)c2)cc1F
InChIInChI=1S/C19H17FN2O2/c20-18-10-15(6-7-16(18)11-19(23)24)17-12-21-22(13-17)9-8-14-4-2-1-3-5-14/h1-7,10,12-13H,8-9,11H2,(H,23,24)
InChIKeyAPWIRXXBBJPUHJ-UHFFFAOYSA-N
XLogP3.56
TPSA55.12 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.36
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid?
The IUPAC name of 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid (CID 170835887) is 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid.
What is the SMILES notation for 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid?
The canonical SMILES for 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid is O=C(O)Cc1ccc(-c2cnn(CCc3ccccc3)c2)cc1F.
What is the InChIKey of 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid?
The InChIKey is APWIRXXBBJPUHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O2/c20-18-10-15(6-7-16(18)11-19(23)24)17-12-21-22(13-17)9-8-14-4-2-1-3-5-14/h1-7,10,12-13H,8-9,11H2,(H,23,24).
What are the key properties of 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid?
2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid has a molecular weight of 324.36 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-4-[1-(2-phenylethyl)pyrazol-4-yl]phenyl]acetic acid is sourced from PubChem (CID 170835887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).