2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

C16H23N3O — CID 62448294

IUPAC2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C16H23N3O/c1-14(2)12-17-13-15-4-6-16(7-5-15)20-11-10-19-9-3-8-18-19/h3-9,14,17H,10-13H2,1-2H3
InChIKeyXZUQDTVDCWRVNF-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.71
Rot. Bonds8

About 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine

2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (PubChem CID 62448294) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
PubChem CID62448294
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine
SMILESCC(C)CNCc1ccc(OCCn2cccn2)cc1
InChIInChI=1S/C16H23N3O/c1-14(2)12-17-13-15-4-6-16(7-5-15)20-11-10-19-9-3-8-18-19/h3-9,14,17H,10-13H2,1-2H3
InChIKeyXZUQDTVDCWRVNF-UHFFFAOYSA-N
XLogP2.71
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine 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

2-methyl-N-[[5-(2-pyrazol-1-ylethoxy)-2-pyridinyl]methyl]propan-1-amine
CID 79793929
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 62448293
2-methyl-N-[(4-propoxyphenyl)methyl]propan-1-amine
CID 28610770
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
N-[[3-bromo-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 63058696
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine
CID 961342
N-methyl-4-(2-pyrazol-1-ylethoxy)aniline
CID 39205104
2-methyl-N-[(4-octoxyphenyl)methyl]propan-1-amine
CID 60657431
N-[[3-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 54962036
N-[(4-ethoxyphenyl)methyl]-2-methylpropan-1-amine;hydrochloride
CID 17291298
2-methyl-N-[[4-(3,3,3-trifluoropropoxy)phenyl]methyl]propan-1-amine
CID 64552907
N-[[4-[2-(2-ethoxyethoxy)ethoxy]phenyl]methyl]-2-methylpropan-1-amine
CID 62446407

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The IUPAC name of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine (CID 62448294) is 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine.
What is the SMILES notation for 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The canonical SMILES for 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is CC(C)CNCc1ccc(OCCn2cccn2)cc1.
What is the InChIKey of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
The InChIKey is XZUQDTVDCWRVNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-14(2)12-17-13-15-4-6-16(7-5-15)20-11-10-19-9-3-8-18-19/h3-9,14,17H,10-13H2,1-2H3.
What are the key properties of 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine?
2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine has a molecular weight of 273.38 g/mol, XLogP of 2.71, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-1-amine is sourced from PubChem (CID 62448294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).