methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate

C19H17FN2O3 — CID 72698514

IUPACmethyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate
SMILESCOC(=O)c1cc(-c2cnn(C)c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-22-11-15(10-21-22)14-5-8-18(17(9-14)19(23)24-2)25-12-13-3-6-16(20)7-4-13/h3-11H,12H2,1-2H3
InChIKeyJSEJPMGQGCYJQQ-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.59
Rot. Bonds5

About methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate

methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate (PubChem CID 72698514) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate.

Molecular Properties

Compound Namemethyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate
PubChem CID72698514
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Namemethyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate
SMILESCOC(=O)c1cc(-c2cnn(C)c2)ccc1OCc1ccc(F)cc1
InChIInChI=1S/C19H17FN2O3/c1-22-11-15(10-21-22)14-5-8-18(17(9-14)19(23)24-2)25-12-13-3-6-16(20)7-4-13/h3-11H,12H2,1-2H3
InChIKeyJSEJPMGQGCYJQQ-UHFFFAOYSA-N
XLogP3.59
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(tert-butyl)-1H-pyrazol-4-yl][2-(3-fluoropropoxy)phenyl]methanone
CID 2768408
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
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-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
4-[(4-Methylpyrazol-1-yl)methyl]-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183480
4-(2-Pyrazol-1-ylethyl)-7-[4-(trifluoromethoxy)phenyl]-2,3-dihydro-1,4-benzoxazepin-5-one
CID 71183500
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 methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate?
The IUPAC name of methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate (CID 72698514) is methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate.
What is the SMILES notation for methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate?
The canonical SMILES for methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate is COC(=O)c1cc(-c2cnn(C)c2)ccc1OCc1ccc(F)cc1.
What is the InChIKey of methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate?
The InChIKey is JSEJPMGQGCYJQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-22-11-15(10-21-22)14-5-8-18(17(9-14)19(23)24-2)25-12-13-3-6-16(20)7-4-13/h3-11H,12H2,1-2H3.
What are the key properties of methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate?
methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate has a molecular weight of 340.35 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(4-fluorophenyl)methoxy]-5-(1-methylpyrazol-4-yl)benzoate is sourced from PubChem (CID 72698514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).