1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine

C15H21N3O2 — CID 54847503

IUPAC1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCCOCCOc1ccc(-c2cc(CNC)[nH]n2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-19-8-9-20-14-6-4-12(5-7-14)15-10-13(11-16-2)17-18-15/h4-7,10,16H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyFQMKLSBRZFVSGS-UHFFFAOYSA-N
MW275.35 g/mol
LogP2.21
Rot. Bonds8

About 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine

1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine (PubChem CID 54847503) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine.

Molecular Properties

Compound Name1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
PubChem CID54847503
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine
SMILESCCOCCOc1ccc(-c2cc(CNC)[nH]n2)cc1
InChIInChI=1S/C15H21N3O2/c1-3-19-8-9-20-14-6-4-12(5-7-14)15-10-13(11-16-2)17-18-15/h4-7,10,16H,3,8-9,11H2,1-2H3,(H,17,18)
InChIKeyFQMKLSBRZFVSGS-UHFFFAOYSA-N
XLogP2.21
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-1-[3-(4-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847474
N-methyl-1-[3-[4-(3-phenylpropoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847044
4-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]aniline
CID 54853247
[3-[4-(2-methoxyethoxy)phenyl]-1H-pyrazol-5-yl]methanol
CID 54847305
5-(4-butoxyphenyl)-N-[(3-phenyl-1H-pyrazol-5-yl)methyl]-1,2,4-triazin-3-amine
CID 70901925
1-[3-(3-fluorophenyl)-1H-pyrazol-5-yl]-N-methylmethanamine
CID 62111510
[3-[4-(2-phenylethoxy)phenyl]-1H-pyrazol-5-yl]methanamine
CID 54847277
2-[[3-[4-(2-phenoxyethoxy)phenyl]-1H-pyrazol-5-yl]methoxy]aniline
CID 54852939
5-(methylaminomethyl)-3-[4-(2-methylpropoxy)phenyl]-1H-pyridazin-6-one
CID 82446197
N-[[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]methyl]propan-2-amine
CID 165487946
N-[[3-(4-bromophenyl)-1H-pyrazol-5-yl]methyl]-2-methylpropan-2-amine
CID 62112031
N-methyl-1-[3-(2-pentoxyphenyl)-1H-pyrazol-5-yl]methanamine
CID 54847408

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine?
The IUPAC name of 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine (CID 54847503) is 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine.
What is the SMILES notation for 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine?
The canonical SMILES for 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine is CCOCCOc1ccc(-c2cc(CNC)[nH]n2)cc1.
What is the InChIKey of 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine?
The InChIKey is FQMKLSBRZFVSGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-3-19-8-9-20-14-6-4-12(5-7-14)15-10-13(11-16-2)17-18-15/h4-7,10,16H,3,8-9,11H2,1-2H3,(H,17,18).
What are the key properties of 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine?
1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine has a molecular weight of 275.35 g/mol, XLogP of 2.21, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(2-ethoxyethoxy)phenyl]-1H-pyrazol-5-yl]-N-methylmethanamine is sourced from PubChem (CID 54847503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).