N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

C15H19Cl2N3O — CID 82865368

IUPACN-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCc1ccn(C)n1
InChIInChI=1S/C15H19Cl2N3O/c1-3-5-18-9-11-7-12(16)8-14(17)15(11)21-10-13-4-6-20(2)19-13/h4,6-8,18H,3,5,9-10H2,1-2H3
InChIKeyXEVFKUASFCBRQH-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.81
Rot. Bonds7

About N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine

N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (PubChem CID 82865368) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.

Molecular Properties

Compound NameN-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
PubChem CID82865368
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC NameN-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
SMILESCCCNCc1cc(Cl)cc(Cl)c1OCc1ccn(C)n1
InChIInChI=1S/C15H19Cl2N3O/c1-3-5-18-9-11-7-12(16)8-14(17)15(11)21-10-13-4-6-20(2)19-13/h4,6-8,18H,3,5,9-10H2,1-2H3
InChIKeyXEVFKUASFCBRQH-UHFFFAOYSA-N
XLogP3.81
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]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

N-[[5-chloro-3-methoxy-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 104664579
N-[(3,5-dichloro-2-pentoxyphenyl)methyl]propan-1-amine
CID 43515784
N-[[3,5-dichloro-2-[(4-methylphenyl)methoxy]phenyl]methyl]propan-1-amine
CID 35697832
N-[[3,5-dichloro-2-[(5-chlorothiophen-2-yl)methoxy]phenyl]methyl]propan-1-amine
CID 63499013
N-[[3,5-dichloro-2-(2-propoxyethoxy)phenyl]methyl]propan-1-amine
CID 106449939
N-[[5-chloro-2-(1-methylpyrazol-3-yl)phenyl]methyl]propan-1-amine
CID 103131639
N-[(2-but-2-enoxy-3,5-dichlorophenyl)methyl]propan-1-amine
CID 76997604
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-3-imidazol-1-ylpropan-1-amine
CID 29225349
N-[[3,5-dibromo-4-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]ethanamine
CID 107742010
N-[[2-[(5-bromo-2-pyridinyl)methoxy]-3,5-dichlorophenyl]methyl]ethanamine
CID 104796203
N-[(3,5-dichloro-2-ethoxyphenyl)methyl]heptan-1-amine
CID 4717568
N-[(3,5-dichloro-2-propoxyphenyl)methyl]-N',N'-diethylethane-1,2-diamine
CID 29241701

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The IUPAC name of N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine (CID 82865368) is N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine.
What is the SMILES notation for N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The canonical SMILES for N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is CCCNCc1cc(Cl)cc(Cl)c1OCc1ccn(C)n1.
What is the InChIKey of N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
The InChIKey is XEVFKUASFCBRQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3O/c1-3-5-18-9-11-7-12(16)8-14(17)15(11)21-10-13-4-6-20(2)19-13/h4,6-8,18H,3,5,9-10H2,1-2H3.
What are the key properties of N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine?
N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine has a molecular weight of 328.24 g/mol, XLogP of 3.81, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-dichloro-2-[(1-methylpyrazol-3-yl)methoxy]phenyl]methyl]propan-1-amine is sourced from PubChem (CID 82865368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).