N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

C14H19N3O — CID 104694398

IUPACN-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCOc1ccc(CNCCc2ccnn2C)cc1
InChIInChI=1S/C14H19N3O/c1-17-13(8-10-16-17)7-9-15-11-12-3-5-14(18-2)6-4-12/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyPZLFKBJYEFIWKT-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds6

About N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine

N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (PubChem CID 104694398) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
PubChem CID104694398
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC NameN-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
SMILESCOc1ccc(CNCCc2ccnn2C)cc1
InChIInChI=1S/C14H19N3O/c1-17-13(8-10-16-17)7-9-15-11-12-3-5-14(18-2)6-4-12/h3-6,8,10,15H,7,9,11H2,1-2H3
InChIKeyPZLFKBJYEFIWKT-UHFFFAOYSA-N
XLogP1.76
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

5-methoxy-2-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenol
CID 104694486
N-[(3-chloro-4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694574
N-[(4,6-dimethoxypyrimidin-5-yl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103004860
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 25248276
N-[(3-bromophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694451
N-[(3-methylphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694342
N'-hydroxy-4-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]benzenecarboximidamide
CID 103007308
1-[(6-methoxynaphthalen-2-yl)methyl]-3-[2-(2-methylpyrazol-3-yl)ethyl]urea
CID 75478004
N-(2,3-dihydro-1H-inden-5-ylmethyl)-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694435
2-(2-methylpyrazol-3-yl)-N-[(3-propoxyphenyl)methyl]ethanamine
CID 104694287
1-(4-methoxyphenyl)-5-(2-methylpyrazol-3-yl)pentan-3-amine
CID 103030537
N-[(3-chloro-4-fluorophenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 113442257

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine (CID 104694398) is N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is COc1ccc(CNCCc2ccnn2C)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
The InChIKey is PZLFKBJYEFIWKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13(8-10-16-17)7-9-15-11-12-3-5-14(18-2)6-4-12/h3-6,8,10,15H,7,9,11H2,1-2H3.
What are the key properties of N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine?
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine has a molecular weight of 245.33 g/mol, XLogP of 1.76, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 104694398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).