1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine

C25H24FN3O — CID 18227355

IUPAC1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CNC(C)c2ccccc2F)cc1
InChIInChI=1S/C25H24FN3O/c1-18(23-10-6-7-11-24(23)26)27-16-20-17-29(21-8-4-3-5-9-21)28-25(20)19-12-14-22(30-2)15-13-19/h3-15,17-18,27H,16H2,1-2H3
InChIKeySWHURCNXJSNIIJ-UHFFFAOYSA-N
MW401.49 g/mol
LogP5.54
Rot. Bonds7

About 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine

1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine (PubChem CID 18227355) has the molecular formula C25H24FN3O and a molecular weight of 401.49 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
PubChem CID18227355
Molecular FormulaC25H24FN3O
Molecular Weight401.49 g/mol
Exact Mass401.19
IUPAC Name1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2CNC(C)c2ccccc2F)cc1
InChIInChI=1S/C25H24FN3O/c1-18(23-10-6-7-11-24(23)26)27-16-20-17-29(21-8-4-3-5-9-21)28-25(20)19-12-14-22(30-2)15-13-19/h3-15,17-18,27H,16H2,1-2H3
InChIKeySWHURCNXJSNIIJ-UHFFFAOYSA-N
XLogP5.54
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500401.49
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 67740433
4-fluoro-3-(4-methoxyphenyl)-1-phenylpyrazole
CID 122398732
N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-phenylethanamine
CID 4792477
N-(3-aminobutyl)-2-[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]acetamide
CID 119498729
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-4-pyrazol-1-ylbutan-2-amine
CID 45192107
(1S,2R)-1-(2-fluorophenyl)-1-methoxy-N-[(3-methyl-1-phenylpyrazol-4-yl)methyl]propan-2-amine
CID 97337119
N-[[3-(6-methoxynaphthalen-2-yl)-1-phenylpyrazol-4-yl]methyl]-1-phenylmethanamine
CID 1290486
2-[[3-[4-(2-methylpropoxy)phenyl]-1-phenylpyrazol-4-yl]methylamino]propanoic acid
CID 120913301
[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl-methyl-[2-oxo-2-(propan-2-ylamino)ethyl]azanium
CID 9050268
(1S)-N-[[3-(4-butoxy-3-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-1-(1H-1,2,4-triazol-5-yl)ethanamine
CID 97261642
N-[[1-(2-fluorophenyl)-3-(4-methoxyphenyl)pyrazol-4-yl]methyl]-1-(5-methylthiophen-2-yl)methanamine
CID 25381264
2-[3-(4-chlorophenyl)-1-(4-methoxyphenyl)pyrazol-4-yl]acetic acid
CID 20542726

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
The IUPAC name of 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine (CID 18227355) is 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine is COc1ccc(-c2nn(-c3ccccc3)cc2CNC(C)c2ccccc2F)cc1.
What is the InChIKey of 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
The InChIKey is SWHURCNXJSNIIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN3O/c1-18(23-10-6-7-11-24(23)26)27-16-20-17-29(21-8-4-3-5-9-21)28-25(20)19-12-14-22(30-2)15-13-19/h3-15,17-18,27H,16H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine?
1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine has a molecular weight of 401.49 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 18227355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).