N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine

C15H21N3O — CID 66441179

IUPACN-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccccc2OC)c1CC
InChIInChI=1S/C15H21N3O/c1-4-13-12(10-16-5-2)11-17-18(13)14-8-6-7-9-15(14)19-3/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyIZNCMNYQXXCHKQ-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.55
Rot. Bonds6

About N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine

N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine (PubChem CID 66441179) has the molecular formula C15H21N3O and a molecular weight of 259.35 g/mol. Its IUPAC name is N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
PubChem CID66441179
Molecular FormulaC15H21N3O
Molecular Weight259.35 g/mol
Exact Mass259.17
IUPAC NameN-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine
SMILESCCNCc1cnn(-c2ccccc2OC)c1CC
InChIInChI=1S/C15H21N3O/c1-4-13-12(10-16-5-2)11-17-18(13)14-8-6-7-9-15(14)19-3/h6-9,11,16H,4-5,10H2,1-3H3
InChIKeyIZNCMNYQXXCHKQ-UHFFFAOYSA-N
XLogP2.55
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[5-ethyl-1-(2-methylphenyl)pyrazol-4-yl]methyl]ethanamine
CID 66441481
N-[[1-(2-methoxyphenyl)-5-propylpyrazol-4-yl]methyl]propan-2-amine
CID 66440776
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methoxyethanamine
CID 66441882
N-[[1-(2-chlorophenyl)-5-ethylpyrazol-4-yl]methyl]propan-1-amine
CID 66440099
N-[[1-(3,5-dimethylphenyl)-5-ethylpyrazol-4-yl]methyl]ethanamine
CID 66440506
N-[(1-phenyl-5-propylpyrazol-4-yl)methyl]ethanamine
CID 66440844
4-(chloromethyl)-1-(2-methoxyphenyl)-5-propan-2-ylpyrazole
CID 66438831
4-[(dipropylamino)methyl]-1-(2-methoxyphenyl)pyrazol-5-amine
CID 82171697
N-[[5-ethyl-1-(2-fluorophenyl)pyrazol-4-yl]methyl]-2-methylpropan-2-amine
CID 66442082
[1-(2-methoxyphenyl)-5-propan-2-ylpyrazol-4-yl]methanamine
CID 66440981
4-(chloromethyl)-5-ethyl-1-(2-methoxyphenyl)triazole
CID 56769536
N-[[1-(2-methylphenyl)-5-propan-2-ylpyrazol-4-yl]methyl]ethanamine
CID 66442086

Frequently Asked Questions

What is the IUPAC name of N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine?
The IUPAC name of N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine (CID 66441179) is N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine is CCNCc1cnn(-c2ccccc2OC)c1CC.
What is the InChIKey of N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine?
The InChIKey is IZNCMNYQXXCHKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O/c1-4-13-12(10-16-5-2)11-17-18(13)14-8-6-7-9-15(14)19-3/h6-9,11,16H,4-5,10H2,1-3H3.
What are the key properties of N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine?
N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine has a molecular weight of 259.35 g/mol, XLogP of 2.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-ethyl-1-(2-methoxyphenyl)pyrazol-4-yl]methyl]ethanamine is sourced from PubChem (CID 66441179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).