2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid

C18H15FN2O3 — CID 67108246

IUPAC2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid
SMILESCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)O)c2)cn1
InChIInChI=1S/C18H15FN2O3/c1-21-10-14(9-20-21)13-4-7-17(16(8-13)18(22)23)24-11-12-2-5-15(19)6-3-12/h2-10H,11H2,1H3,(H,22,23)
InChIKeyWUPQVUFQSHOBAA-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.50
Rot. Bonds5

About 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid

2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid (PubChem CID 67108246) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid
PubChem CID67108246
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC Name2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid
SMILESCn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)O)c2)cn1
InChIInChI=1S/C18H15FN2O3/c1-21-10-14(9-20-21)13-4-7-17(16(8-13)18(22)23)24-11-12-2-5-15(19)6-3-12/h2-10H,11H2,1H3,(H,22,23)
InChIKeyWUPQVUFQSHOBAA-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[3-[3-(2-Amino-2-oxoethyl)-2-fluorophenyl]-5-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]acetic acid
CID 121379599
5-(1-Methylpyrazol-4-yl)-2-[1-[2-[4-(trifluoromethoxy)phenyl]acetyl]piperidin-4-yl]oxybenzamide
CID 132041675
3-Fluoro-2-hydroxy-5-(1-methylpyrazol-4-yl)benzaldehyde
CID 59599806
2-[4-ethoxy-3-[5-fluoro-2-[(E)-3-(1-methylpyrazol-4-yl)prop-2-enoyl]-3,4-dihydro-1H-isoquinolin-8-yl]phenyl]acetic acid
CID 89648979
2-(Aminomethyl)-6-(1-methylpyrazol-4-yl)chromen-4-one;hydrochloride
CID 126484806
2-phenoxy-5-(1H-pyrazol-4-yl)benzoic acid
CID 132473014
5-Hydroxy-7-(1-methylpyrazol-4-yl)-2-phenylchromen-4-one
CID 164524568
2-fluoro-5-[1-(4-methoxybenzyl)-1H-pyrazol-4-yl]benzamide
CID 72856220
4-[(1-Methylpyrazol-4-yl)methyl]-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183359
2-[3-(4-ethoxyphenyl)phenoxy]-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
CID 139491165
2-[3-(3,5-dimethylphenyl)phenoxy]-5-(5-fluoro-1H-pyrazol-4-yl)benzoic acid
CID 139491223
2-(3-fluorophenoxy)-5-(1H-pyrazol-4-yl)benzoic acid
CID 139491234

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid?
The IUPAC name of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid (CID 67108246) is 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid.
What is the SMILES notation for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid?
The canonical SMILES for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid is Cn1cc(-c2ccc(OCc3ccc(F)cc3)c(C(=O)O)c2)cn1.
What is the InChIKey of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid?
The InChIKey is WUPQVUFQSHOBAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c1-21-10-14(9-20-21)13-4-7-17(16(8-13)18(22)23)24-11-12-2-5-15(19)6-3-12/h2-10H,11H2,1H3,(H,22,23).
What are the key properties of 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid?
2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid has a molecular weight of 326.33 g/mol, XLogP of 3.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoic acid is sourced from PubChem (CID 67108246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).