(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

C24H24FN3O — CID 25456774

IUPAC(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)c(F)c1
InChIInChI=1S/C24H24FN3O/c1-16(26-14-19-11-12-20(29-3)13-23(19)25)22-15-27-28(17(22)2)24-10-6-8-18-7-4-5-9-21(18)24/h4-13,15-16,26H,14H2,1-3H3/t16-/m0/s1
InChIKeyDXLFRNGZJBJBAD-INIZCTEOSA-N
MW389.47 g/mol
LogP5.33
Rot. Bonds6

About (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine

(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (PubChem CID 25456774) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
PubChem CID25456774
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
SMILESCOc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)c(F)c1
InChIInChI=1S/C24H24FN3O/c1-16(26-14-19-11-12-20(29-3)13-23(19)25)22-15-27-28(17(22)2)24-10-6-8-18-7-4-5-9-21(18)24/h4-13,15-16,26H,14H2,1-3H3/t16-/m0/s1
InChIKeyDXLFRNGZJBJBAD-INIZCTEOSA-N
XLogP5.33
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-N-[(2-fluorophenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 42458001
1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)-N-[(2,3,4-trimethoxyphenyl)methyl]ethanamine
CID 45226675
2-[[[(1S)-1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]ethyl]amino]methyl]-5-methoxyphenol
CID 26336842
2-ethoxy-6-[[1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethylamino]methyl]phenol
CID 45236071
(1R)-N-(1,3-benzodioxol-4-ylmethyl)-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 42393773
N-[[1-(2-methoxyphenyl)pyrazol-4-yl]methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine
CID 45205680
(1R)-N-[(2,5-dimethoxyphenyl)methyl]-1-(5-methyl-1-phenylpyrazol-4-yl)ethanamine
CID 51902743
(1S)-1-[1-(4-methoxyphenyl)-5-methylpyrazol-4-yl]-N-[[2-(trifluoromethyl)phenyl]methyl]ethanamine
CID 25277206
(1R)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-phenylethanamine
CID 96930071
(1S)-1-[1-(3-fluorophenyl)-5-methylpyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]ethanamine
CID 25296947
1-[1-(2,4-difluorophenyl)-5-methylpyrazol-4-yl]-N-[[2-(4-methoxyphenyl)pyrimidin-5-yl]methyl]ethanamine
CID 45205587
(1R)-N-[(2,4-dimethoxyphenyl)methyl]-1-naphthalen-1-ylethanamine
CID 30624473

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The IUPAC name of (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine (CID 25456774) is (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine.
What is the SMILES notation for (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The canonical SMILES for (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is COc1ccc(CN[C@@H](C)c2cnn(-c3cccc4ccccc34)c2C)c(F)c1.
What is the InChIKey of (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
The InChIKey is DXLFRNGZJBJBAD-INIZCTEOSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-16(26-14-19-11-12-20(29-3)13-23(19)25)22-15-27-28(17(22)2)24-10-6-8-18-7-4-5-9-21(18)24/h4-13,15-16,26H,14H2,1-3H3/t16-/m0/s1.
What are the key properties of (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine?
(1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine has a molecular weight of 389.47 g/mol, XLogP of 5.33, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(2-fluoro-4-methoxyphenyl)methyl]-1-(5-methyl-1-naphthalen-1-ylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 25456774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).