1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone

C19H17FN2O3 — CID 99634944

IUPAC1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN2O3/c1-13(23)14-3-8-18(19(11-14)24-2)25-12-16-9-10-22(21-16)17-6-4-15(20)5-7-17/h3-11H,12H2,1-2H3
InChIKeyBUUFNFIUOJEIBD-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.80
Rot. Bonds6

About 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone

1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone (PubChem CID 99634944) has the molecular formula C19H17FN2O3 and a molecular weight of 340.35 g/mol. Its IUPAC name is 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone.

Molecular Properties

Compound Name1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone
PubChem CID99634944
Molecular FormulaC19H17FN2O3
Molecular Weight340.35 g/mol
Exact Mass340.12
IUPAC Name1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone
SMILESCOc1cc(C(C)=O)ccc1OCc1ccn(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H17FN2O3/c1-13(23)14-3-8-18(19(11-14)24-2)25-12-16-9-10-22(21-16)17-6-4-15(20)5-7-17/h3-11H,12H2,1-2H3
InChIKeyBUUFNFIUOJEIBD-UHFFFAOYSA-N
XLogP3.80
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3-methoxy-4-[(2-phenyltriazol-4-yl)methoxy]phenyl]ethanone
CID 46483976
N'-[2-(4-acetyl-2-methoxyphenoxy)acetyl]-4-fluorobenzohydrazide
CID 7946052
(4-pyrazol-1-ylphenyl)methyl 2-(4-acetyl-2-methoxyphenoxy)acetate
CID 16571324
1-[4-[(3-ethylimidazol-4-yl)methoxy]-3-methoxyphenyl]ethanone
CID 66152416
1-[4-[(3-bromo-5-fluorophenyl)methoxy]-3-methoxyphenyl]ethanone
CID 79671185
1-(3,4-dimethoxyphenyl)-2-[2-[1-(4-fluorophenyl)pyrazol-3-yl]ethyl]guanidine;hydroiodide
CID 111821215
2-(4-acetyl-2-methoxyphenoxy)-N-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]acetamide
CID 24504128
2-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]phenoxy]ethanol
CID 111630051
1-[3-methoxy-4-[4-(2,3,4,5,6-pentafluorophenoxy)butoxy]phenyl]ethanone
CID 91376507
1-[3-fluoro-4-[(4-fluorophenyl)methoxy]phenyl]ethanone
CID 112689439
1-[4-[(2R)-3-[4-(4-fluorophenyl)piperazin-1-ium-1-yl]-2-hydroxypropoxy]-3-methoxyphenyl]ethanone
CID 6973191
1-[3-[(2-chloro-4-fluorophenoxy)methyl]-4-methoxyphenyl]ethanone
CID 60627011

Frequently Asked Questions

What is the IUPAC name of 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone?
The IUPAC name of 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone (CID 99634944) is 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone.
What is the SMILES notation for 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone?
The canonical SMILES for 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone is COc1cc(C(C)=O)ccc1OCc1ccn(-c2ccc(F)cc2)n1.
What is the InChIKey of 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone?
The InChIKey is BUUFNFIUOJEIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17FN2O3/c1-13(23)14-3-8-18(19(11-14)24-2)25-12-16-9-10-22(21-16)17-6-4-15(20)5-7-17/h3-11H,12H2,1-2H3.
What are the key properties of 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone?
1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone has a molecular weight of 340.35 g/mol, XLogP of 3.80, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[1-(4-fluorophenyl)pyrazol-3-yl]methoxy]-3-methoxyphenyl]ethanone is sourced from PubChem (CID 99634944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).