2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid

C18H15FN2O3 — CID 21418450

IUPAC2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)nc2CC(=O)O)cc1
InChIInChI=1S/C18H15FN2O3/c1-24-15-8-2-12(3-9-15)16-11-21(20-17(16)10-18(22)23)14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyIURAJQHBCIOEGE-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.31
Rot. Bonds5

About 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid

2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid (PubChem CID 21418450) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid
PubChem CID21418450
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid
SMILESCOc1ccc(-c2cn(-c3ccc(F)cc3)nc2CC(=O)O)cc1
InChIInChI=1S/C18H15FN2O3/c1-24-15-8-2-12(3-9-15)16-11-21(20-17(16)10-18(22)23)14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,22,23)
InChIKeyIURAJQHBCIOEGE-UHFFFAOYSA-N
XLogP3.31
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid?
The IUPAC name of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid (CID 21418450) is 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid.
What is the SMILES notation for 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid?
The canonical SMILES for 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid is COc1ccc(-c2cn(-c3ccc(F)cc3)nc2CC(=O)O)cc1.
What is the InChIKey of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid?
The InChIKey is IURAJQHBCIOEGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-24-15-8-2-12(3-9-15)16-11-21(20-17(16)10-18(22)23)14-6-4-13(19)5-7-14/h2-9,11H,10H2,1H3,(H,22,23).
What are the key properties of 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid?
2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid has a molecular weight of 326.33 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(4-fluorophenyl)-4-(4-methoxyphenyl)pyrazol-3-yl]acetic acid is sourced from PubChem (CID 21418450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).