2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone

C20H17FN2O3 — CID 58091089

IUPAC2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
SMILESCOc1ccccc1C(=O)Cc1cn[nH]c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3/c1-26-19-5-3-2-4-16(19)17(24)11-14-12-22-23-20(14)18(25)10-13-6-8-15(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyMRPHKMAMVUAKJM-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.41
Rot. Bonds7

About 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone

2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone (PubChem CID 58091089) has the molecular formula C20H17FN2O3 and a molecular weight of 352.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
PubChem CID58091089
Molecular FormulaC20H17FN2O3
Molecular Weight352.37 g/mol
Exact Mass352.12
IUPAC Name2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone
SMILESCOc1ccccc1C(=O)Cc1cn[nH]c1C(=O)Cc1ccc(F)cc1
InChIInChI=1S/C20H17FN2O3/c1-26-19-5-3-2-4-16(19)17(24)11-14-12-22-23-20(14)18(25)10-13-6-8-15(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,23)
InChIKeyMRPHKMAMVUAKJM-UHFFFAOYSA-N
XLogP3.41
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

{1-[(3-cyclohexyl-1H-pyrazol-4-yl)methyl]-3-piperidinyl}(2-methoxyphenyl)methanone
CID 16191461
1-{[3-(2,4-difluorophenyl)-1H-pyrazol-4-yl]methyl}-4-(2-methoxybenzoyl)piperazine
CID 16191501
(4-fluorophenyl)(1-{[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}-4-piperidinyl)methanone
CID 2812608
2-Methoxy-N-({N'-[(E)-(3-phenyl-1H-pyrazol-4-YL)methylidene]hydrazinecarbonyl}methyl)benzamide
CID 135439730
(E)-3-[2,5-dimethoxy-4-(1H-pyrazol-4-yl)phenyl]-1-(4-fluorophenyl)prop-2-en-1-one
CID 166629108
(4-Methoxyphenyl)(1H-pyrazol-5-yl)methanone
CID 296610
3-(4-Ethylphenyl)-N'-(3-(2-meo-PH)-2-propenylidene)-1H-pyrazole-5-carbohydrazide
CID 6869519
2-Trifluoromethyl-3-pyrazolylchromone
CID 129781914
(4-fluoro-1H-pyrazol-5-yl)-(3-methoxyphenyl)methanone
CID 135056760
(2-hydroxyphenyl)-[4-[(E)-2-phenylethenyl]-1H-pyrazol-5-yl]methanone
CID 10803428
3-Pyrazolylchromone
CID 67691451
3-(4-Fluorophenyl)-N'-(4-methoxybenzylidene)-1H-pyrazole-5-carbohydrazide
CID 9594600

Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The IUPAC name of 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone (CID 58091089) is 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone.
What is the SMILES notation for 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The canonical SMILES for 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone is COc1ccccc1C(=O)Cc1cn[nH]c1C(=O)Cc1ccc(F)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
The InChIKey is MRPHKMAMVUAKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN2O3/c1-26-19-5-3-2-4-16(19)17(24)11-14-12-22-23-20(14)18(25)10-13-6-8-15(21)9-7-13/h2-9,12H,10-11H2,1H3,(H,22,23).
What are the key properties of 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone?
2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone has a molecular weight of 352.37 g/mol, XLogP of 3.41, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-[4-[2-(2-methoxyphenyl)-2-oxoethyl]-1H-pyrazol-5-yl]ethanone is sourced from PubChem (CID 58091089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).