4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine

C17H23Cl2N3O — CID 11494142

IUPAC4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H23Cl2N3O/c1-3-21(4-2)10-5-6-12-23-17-9-11-22(20-17)14-7-8-15(18)16(19)13-14/h7-9,11,13H,3-6,10,12H2,1-2H3
InChIKeyNWRIDVFHFNJXNR-UHFFFAOYSA-N
MW356.30 g/mol
LogP4.68
Rot. Bonds9

About 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine

4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine (PubChem CID 11494142) has the molecular formula C17H23Cl2N3O and a molecular weight of 356.30 g/mol. Its IUPAC name is 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine.

Molecular Properties

Compound Name4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine
PubChem CID11494142
Molecular FormulaC17H23Cl2N3O
Molecular Weight356.30 g/mol
Exact Mass355.12
IUPAC Name4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine
SMILESCCN(CC)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1
InChIInChI=1S/C17H23Cl2N3O/c1-3-21(4-2)10-5-6-12-23-17-9-11-22(20-17)14-7-8-15(18)16(19)13-14/h7-9,11,13H,3-6,10,12H2,1-2H3
InChIKeyNWRIDVFHFNJXNR-UHFFFAOYSA-N
XLogP4.68
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.30
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-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

Frequently Asked Questions

What is the IUPAC name of 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine?
The IUPAC name of 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine (CID 11494142) is 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine.
What is the SMILES notation for 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine?
The canonical SMILES for 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine is CCN(CC)CCCCOc1ccn(-c2ccc(Cl)c(Cl)c2)n1.
What is the InChIKey of 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine?
The InChIKey is NWRIDVFHFNJXNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23Cl2N3O/c1-3-21(4-2)10-5-6-12-23-17-9-11-22(20-17)14-7-8-15(18)16(19)13-14/h7-9,11,13H,3-6,10,12H2,1-2H3.
What are the key properties of 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine?
4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine has a molecular weight of 356.30 g/mol, XLogP of 4.68, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(3,4-dichlorophenyl)pyrazol-3-yl]oxy-N,N-diethylbutan-1-amine is sourced from PubChem (CID 11494142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).