2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

C16H23N3O — CID 63061350

IUPAC2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCn1cc(COc2ccc(CNC(C)(C)C)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-16(2,3)17-9-13-5-7-15(8-6-13)20-12-14-10-18-19(4)11-14/h5-8,10-11,17H,9,12H2,1-4H3
InChIKeyVMZKPKJOVRITBP-UHFFFAOYSA-N
MW273.38 g/mol
LogP2.89
Rot. Bonds5

About 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine

2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (PubChem CID 63061350) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.

Molecular Properties

Compound Name2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
PubChem CID63061350
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC Name2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine
SMILESCn1cc(COc2ccc(CNC(C)(C)C)cc2)cn1
InChIInChI=1S/C16H23N3O/c1-16(2,3)17-9-13-5-7-15(8-6-13)20-12-14-10-18-19(4)11-14/h5-8,10-11,17H,9,12H2,1-4H3
InChIKeyVMZKPKJOVRITBP-UHFFFAOYSA-N
XLogP2.89
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-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

N-[[3-fluoro-4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]-2-methylpropan-2-amine
CID 107688660
2-methyl-N-[[6-methyl-3-[(1-methylpyrazol-4-yl)methoxy]-2-pyridinyl]methyl]propan-2-amine
CID 79158953
potassium trifluoro-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]boranuide
CID 55234584
2-methyl-N-[[4-[(6-methyl-3-pyridinyl)oxymethyl]phenyl]methyl]propan-2-amine
CID 62440308
2-methyl-4-[(1-methylpyrazol-4-yl)methoxy]aniline
CID 62125617
2-methyl-N-[[4-[(1-methylimidazol-2-yl)methoxy]phenyl]methyl]propan-2-amine
CID 60956793
2-methyl-N-[[4-[2-(4-methylpyrazol-1-yl)ethoxy]phenyl]methyl]propan-2-amine
CID 62447638
N-ethyl-1-[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]propan-1-amine
CID 60889160
2-methyl-N-[[4-[(4-nitrosophenyl)methoxy]phenyl]methyl]propan-2-amine
CID 89228032
4-[(4-methoxyphenoxy)methyl]-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 19292350
N-[(1-methylpyrazol-4-yl)methyl]-1-[4-(trifluoromethoxy)phenyl]methanamine
CID 60707327
N-[[4-[(tert-butylamino)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 22251747

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The IUPAC name of 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine (CID 63061350) is 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine.
What is the SMILES notation for 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The canonical SMILES for 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is Cn1cc(COc2ccc(CNC(C)(C)C)cc2)cn1.
What is the InChIKey of 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
The InChIKey is VMZKPKJOVRITBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-16(2,3)17-9-13-5-7-15(8-6-13)20-12-14-10-18-19(4)11-14/h5-8,10-11,17H,9,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine?
2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine has a molecular weight of 273.38 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[4-[(1-methylpyrazol-4-yl)methoxy]phenyl]methyl]propan-2-amine is sourced from PubChem (CID 63061350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).