2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol

C20H22FN3O2 — CID 70734493

IUPAC2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol
SMILESCOc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)CCO)cc1
InChIInChI=1S/C20H22FN3O2/c1-23(11-12-25)13-16-14-24(19-6-4-3-5-18(19)21)22-20(16)15-7-9-17(26-2)10-8-15/h3-10,14,25H,11-13H2,1-2H3
InChIKeySZJLMXRJFBVQTO-UHFFFAOYSA-N
MW355.41 g/mol
LogP3.11
Rot. Bonds7

About 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol

2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol (PubChem CID 70734493) has the molecular formula C20H22FN3O2 and a molecular weight of 355.41 g/mol. Its IUPAC name is 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol
PubChem CID70734493
Molecular FormulaC20H22FN3O2
Molecular Weight355.41 g/mol
Exact Mass355.17
IUPAC Name2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol
SMILESCOc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)CCO)cc1
InChIInChI=1S/C20H22FN3O2/c1-23(11-12-25)13-16-14-24(19-6-4-3-5-18(19)21)22-20(16)15-7-9-17(26-2)10-8-15/h3-10,14,25H,11-13H2,1-2H3
InChIKeySZJLMXRJFBVQTO-UHFFFAOYSA-N
XLogP3.11
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.41
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]-N-methyl-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 25370859
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N-methyl-1-[(3S)-1-methylpiperidin-3-yl]methanamine
CID 26318553
1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-methylpiperazine
CID 45248945
1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-amine
CID 83205397
(3R)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863281
(3S)-1-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-N,N-dimethylpyrrolidin-3-amine
CID 95863282
2-[[1-(2,5-dimethylphenyl)-3-phenylpyrazol-4-yl]methyl-methylamino]ethanol
CID 42347304
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 25381264
3-[[3-(3-fluoro-4-methoxyphenyl)-1-(2-methylphenyl)pyrazol-4-yl]methyl-methylamino]propane-1,2-diol
CID 45229661
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 45192107
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-methoxy-N-methylbenzamide
CID 18292471
4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol (CID 70734493) is 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol is COc1ccc(-c2nn(-c3ccccc3F)cc2CN(C)CCO)cc1.
What is the InChIKey of 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is SZJLMXRJFBVQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FN3O2/c1-23(11-12-25)13-16-14-24(19-6-4-3-5-18(19)21)22-20(16)15-7-9-17(26-2)10-8-15/h3-10,14,25H,11-13H2,1-2H3.
What are the key properties of 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol?
2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 355.41 g/mol, XLogP of 3.11, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70734493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).