N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine

C20H23N3O — CID 170995040

IUPACN-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(OCc2ccccc2)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C20H23N3O/c1-3-21-12-17-9-18(19-13-22-23(2)14-19)11-20(10-17)24-15-16-7-5-4-6-8-16/h4-11,13-14,21H,3,12,15H2,1-2H3
InChIKeyLPMPYFOMHFUQBE-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.78
Rot. Bonds7

About N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine

N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine (PubChem CID 170995040) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
PubChem CID170995040
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC NameN-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
SMILESCCNCc1cc(OCc2ccccc2)cc(-c2cnn(C)c2)c1
InChIInChI=1S/C20H23N3O/c1-3-21-12-17-9-18(19-13-22-23(2)14-19)11-20(10-17)24-15-16-7-5-4-6-8-16/h4-11,13-14,21H,3,12,15H2,1-2H3
InChIKeyLPMPYFOMHFUQBE-UHFFFAOYSA-N
XLogP3.78
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine
CID 170995438
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]cyclopentanamine
CID 170995437
[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methanamine
CID 170995038
1-methyl-4-phenylmethoxypyrazole
CID 84661432
4-(3-ethyl-5-methoxyphenyl)-1-methylpyrazole
CID 170591109
3-(1-methylpyrazol-4-yl)-4-phenylmethoxybenzenethiol
CID 167225778
N-[[4-fluoro-3-[(1-methylpyrazol-4-yl)oxymethyl]phenyl]methyl]ethanamine
CID 107457958
N-[2-fluoro-5-[[4-(1-methylpyrazol-4-yl)phenyl]methoxy]phenyl]-3-phenylpropanamide
CID 163286463
N-[(1-methylpyrazol-4-yl)methyl]-1-phenylmethanamine;hydrochloride
CID 126966764
3-[4-(3-phenylmethoxyphenyl)pyrazol-1-yl]propan-1-ol
CID 172649346
N-ethyl-2-[(3-phenylmethoxyphenyl)methylamino]acetamide
CID 69313120
2-(4-methylphenyl)-1-[4-(1-methylpyrazol-4-yl)-2-phenylmethoxyphenyl]ethanone
CID 159458448

Frequently Asked Questions

What is the IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
The IUPAC name of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine (CID 170995040) is N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine.
What is the SMILES notation for N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
The canonical SMILES for N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine is CCNCc1cc(OCc2ccccc2)cc(-c2cnn(C)c2)c1.
What is the InChIKey of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
The InChIKey is LPMPYFOMHFUQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-3-21-12-17-9-18(19-13-22-23(2)14-19)11-20(10-17)24-15-16-7-5-4-6-8-16/h4-11,13-14,21H,3,12,15H2,1-2H3.
What are the key properties of N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine?
N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine has a molecular weight of 321.42 g/mol, XLogP of 3.78, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(1-methylpyrazol-4-yl)-5-phenylmethoxyphenyl]methyl]ethanamine is sourced from PubChem (CID 170995040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).