[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone

C24H19FN2O2 — CID 2765877

IUPAC[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone
SMILESCC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccccc2)n1
InChIInChI=1S/C24H19FN2O2/c1-17(23-14-15-27(26-23)24(28)19-10-6-3-7-11-19)29-20-12-13-21(22(25)16-20)18-8-4-2-5-9-18/h2-17H,1H3
InChIKeyUSMDWRHQLPSHBQ-UHFFFAOYSA-N
MW386.43 g/mol
LogP5.52
Rot. Bonds5

About [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone

[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone (PubChem CID 2765877) has the molecular formula C24H19FN2O2 and a molecular weight of 386.43 g/mol. Its IUPAC name is [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone
PubChem CID2765877
Molecular FormulaC24H19FN2O2
Molecular Weight386.43 g/mol
Exact Mass386.14
IUPAC Name[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone
SMILESCC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccccc2)n1
InChIInChI=1S/C24H19FN2O2/c1-17(23-14-15-27(26-23)24(28)19-10-6-3-7-11-19)29-20-12-13-21(22(25)16-20)18-8-4-2-5-9-18/h2-17H,1H3
InChIKeyUSMDWRHQLPSHBQ-UHFFFAOYSA-N
XLogP5.52
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.43
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-N,N-dimethyl-1-phenyl-1H-pyrazole-4-carboxamide
CID 752166
N'-[(1,5-dimethyl-1H-pyrazol-4-yl)methylene]-3-[(4-ethylphenoxy)methyl]benzohydrazide
CID 5433770
4-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11531941
3-Fluoro-N-[3-(2-methyl-2H-pyrazol-3-yl)-4-(2-morpholin-4-ylethoxy)-phenyl]-benzamide
CID 11553617
N-{4-[2-(4-Acetylpiperazin-1-yl)ethoxy]-3-(1-methyl-1H-pyrazol-5-yl)phenyl}-3-fluorobenzamide
CID 11655664
N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenyl-propan-2-yl]benzamide
CID 25014206
US11180484, Example 42
CID 139301883
CID 169494310
CID 169494310
N-(4-ethoxyphenyl)-1,3-diphenyl-1H-pyrazole-4-carboxamide
CID 7947603
1-(4-fluorophenyl)-3-(3-methoxyphenyl)-N-(oxolan-2-ylmethyl)pyrazole-4-carboxamide
CID 16232627
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(4-ethoxyphenyl)-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 70692158

Frequently Asked Questions

What is the IUPAC name of [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone?
The IUPAC name of [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone (CID 2765877) is [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone.
What is the SMILES notation for [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone?
The canonical SMILES for [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone is CC(Oc1ccc(-c2ccccc2)c(F)c1)c1ccn(C(=O)c2ccccc2)n1.
What is the InChIKey of [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone?
The InChIKey is USMDWRHQLPSHBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O2/c1-17(23-14-15-27(26-23)24(28)19-10-6-3-7-11-19)29-20-12-13-21(22(25)16-20)18-8-4-2-5-9-18/h2-17H,1H3.
What are the key properties of [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone?
[3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone has a molecular weight of 386.43 g/mol, XLogP of 5.52, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[1-(3-fluoro-4-phenylphenoxy)ethyl]pyrazol-1-yl]-phenylmethanone is sourced from PubChem (CID 2765877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).