N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine

C13H17N3O2 — CID 82714540

IUPACN-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCOCCONCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H17N3O2/c1-17-9-10-18-15-11-12-3-5-13(6-4-12)16-8-2-7-14-16/h2-8,15H,9-11H2,1H3
InChIKeyJVSUUSZKWHWEGT-UHFFFAOYSA-N
MW247.30 g/mol
LogP1.54
Rot. Bonds7

About N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine

N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine (PubChem CID 82714540) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine.

Molecular Properties

Compound NameN-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
PubChem CID82714540
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC NameN-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine
SMILESCOCCONCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C13H17N3O2/c1-17-9-10-18-15-11-12-3-5-13(6-4-12)16-8-2-7-14-16/h2-8,15H,9-11H2,1H3
InChIKeyJVSUUSZKWHWEGT-UHFFFAOYSA-N
XLogP1.54
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-pyrazol-1-ylphenyl)-N-(2,2,2-trifluoroethoxy)methanamine
CID 82712652
4-methoxy-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 62733351
1-methoxy-3-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]butan-2-amine
CID 65047843
3-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]propan-1-amine
CID 115573877
2-butoxy-N-[(4-pyrazol-1-ylphenyl)methyl]ethanamine
CID 61170676
2-(2-methoxyethylamino)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]acetamide
CID 119699721
1-[[1-(2-methoxyethyl)-3,5-dimethylpyrazol-4-yl]methyl]-3-[(4-pyrazol-1-ylphenyl)methyl]urea
CID 48519340
3-(2-methoxyethoxymethyl)-N'-methyl-N-[(4-pyrazol-1-ylphenyl)methyl]pyrrolidine-1-carboximidamide;hydroiodide
CID 111745488
1-(2-methoxyethyl)-2-[(4-pyrazol-1-ylphenyl)methyl]guanidine
CID 110916112
4-ethyl-N-[(4-pyrazol-1-ylphenyl)methyl]aniline
CID 43226671
N-[(2R)-1-methoxypropan-2-yl]-4-pyrazol-1-ylbenzamide
CID 94065165
4-(methoxymethyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]benzamide
CID 26081638

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine?
The IUPAC name of N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine (CID 82714540) is N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine.
What is the SMILES notation for N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine?
The canonical SMILES for N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine is COCCONCc1ccc(-n2cccn2)cc1.
What is the InChIKey of N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine?
The InChIKey is JVSUUSZKWHWEGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-17-9-10-18-15-11-12-3-5-13(6-4-12)16-8-2-7-14-16/h2-8,15H,9-11H2,1H3.
What are the key properties of N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine?
N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine has a molecular weight of 247.30 g/mol, XLogP of 1.54, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethoxy)-1-(4-pyrazol-1-ylphenyl)methanamine is sourced from PubChem (CID 82714540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).