N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine

C14H19N3O2 — CID 61070547

IUPACN-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCOc1ccc(CNCCn2cccn2)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-18-13-5-4-12(14(10-13)19-2)11-15-7-9-17-8-3-6-16-17/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyNGENQBWHAITLRY-UHFFFAOYSA-N
MW261.33 g/mol
LogP1.69
Rot. Bonds7

About N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine

N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine (PubChem CID 61070547) has the molecular formula C14H19N3O2 and a molecular weight of 261.33 g/mol. Its IUPAC name is N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine.

Molecular Properties

Compound NameN-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
PubChem CID61070547
Molecular FormulaC14H19N3O2
Molecular Weight261.33 g/mol
Exact Mass261.15
IUPAC NameN-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
SMILESCOc1ccc(CNCCn2cccn2)c(OC)c1
InChIInChI=1S/C14H19N3O2/c1-18-13-5-4-12(14(10-13)19-2)11-15-7-9-17-8-3-6-16-17/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyNGENQBWHAITLRY-UHFFFAOYSA-N
XLogP1.69
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.33
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

(2S)-N-[(2,4-dimethoxyphenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 93046419
N-[(2-bromo-3,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 56781264
N-[[5-methoxy-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
CID 61491744
N'-[(2,4-dimethoxyphenyl)methyl]-N-ethylpropane-1,3-diamine
CID 17215620
1-[(2,4-dimethoxyphenyl)methyl]-3-ethyl-1-methyl-2-(2-pyrazol-1-ylethyl)guanidine
CID 111297491
2-[(2,4-dimethoxyphenyl)methylamino]ethanethiol
CID 115223928
N-[(2,4-dimethoxyphenyl)methyl]-2-phenylethanamine;hydrochloride
CID 17293467
N-[(2,4-dimethylphenyl)methyl]-2-pyrazol-1-ylethanamine
CID 61070927
N-[(2,4-dimethoxyphenyl)methyl]heptan-1-amine
CID 4719115
N-[(2,4-dimethoxyphenyl)methyl]hexan-1-amine
CID 4722370
N-[[3-(2-fluoro-4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-2-pyrazol-1-ylethanamine
CID 42158119
N-[[2-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-pyrazol-1-ylethanamine
CID 61071668

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine?
The IUPAC name of N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine (CID 61070547) is N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine.
What is the SMILES notation for N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine?
The canonical SMILES for N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine is COc1ccc(CNCCn2cccn2)c(OC)c1.
What is the InChIKey of N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine?
The InChIKey is NGENQBWHAITLRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O2/c1-18-13-5-4-12(14(10-13)19-2)11-15-7-9-17-8-3-6-16-17/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine?
N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine has a molecular weight of 261.33 g/mol, XLogP of 1.69, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethoxyphenyl)methyl]-2-pyrazol-1-ylethanamine is sourced from PubChem (CID 61070547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).