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

C14H19N3O — CID 25248276

IUPAC2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2ccnn2C)c1
InChIInChI=1S/C14H19N3O/c1-17-13(7-9-16-17)11-15-8-6-12-4-3-5-14(10-12)18-2/h3-5,7,9-10,15H,6,8,11H2,1-2H3
InChIKeyBPILZOWSNJKECS-UHFFFAOYSA-N
MW245.33 g/mol
LogP1.76
Rot. Bonds6

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

2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (PubChem CID 25248276) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.

Molecular Properties

Compound Name2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
PubChem CID25248276
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
SMILESCOc1cccc(CCNCc2ccnn2C)c1
InChIInChI=1S/C14H19N3O/c1-17-13(7-9-16-17)11-15-8-6-12-4-3-5-14(10-12)18-2/h3-5,7,9-10,15H,6,8,11H2,1-2H3
InChIKeyBPILZOWSNJKECS-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

1-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]methanamine;hydrochloride
CID 126965504
2-(3-methoxyphenyl)-N-[(2-propylpyrazol-3-yl)methyl]ethanamine;hydrochloride
CID 126966945
N-[(4-methoxyphenyl)methyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 104694398
1-[(3-methoxyphenyl)methyl]-2-methyl-3-[(2-methylpyrazol-3-yl)methyl]guanidine
CID 111249985
1-(3-methoxyphenyl)-4-(2-methylpyrazol-3-yl)butan-2-ol
CID 103008036
N-[(2-methylpyrazol-3-yl)methyl]-1-(3-propan-2-yloxyphenyl)methanamine
CID 55137874
1-[3-(3-methoxypropoxy)phenyl]-N-[(2-methylpyrazol-3-yl)methyl]methanamine
CID 86867695
2-[3-[[2-(2-methylpyrazol-3-yl)ethylamino]methyl]phenoxy]acetonitrile
CID 103005192
2-(3-methoxyphenyl)-N-[[1-methyl-5-(trifluoromethyl)pyrazol-4-yl]methyl]ethanamine
CID 122166370
2-(2-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine
CID 19619324
2-(3-methoxyphenyl)-N-[(1-methyltriazol-4-yl)methyl]ethanamine
CID 103698589
N-[(3-methoxyphenyl)methyl]-2-(3-methylphenyl)ethanamine
CID 62315348

Frequently Asked Questions

What is the IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The IUPAC name of 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine (CID 25248276) is 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine.
What is the SMILES notation for 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The canonical SMILES for 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is COc1cccc(CCNCc2ccnn2C)c1.
What is the InChIKey of 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
The InChIKey is BPILZOWSNJKECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O/c1-17-13(7-9-16-17)11-15-8-6-12-4-3-5-14(10-12)18-2/h3-5,7,9-10,15H,6,8,11H2,1-2H3.
What are the key properties of 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine?
2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]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 2-(3-methoxyphenyl)-N-[(2-methylpyrazol-3-yl)methyl]ethanamine is sourced from PubChem (CID 25248276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).