2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine

C16H22ClN3O — CID 105103537

IUPAC2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(COc2ccc(Cl)cc2)NCC)cn1
InChIInChI=1S/C16H22ClN3O/c1-3-9-20-11-13(10-19-20)16(18-4-2)12-21-15-7-5-14(17)6-8-15/h5-8,10-11,16,18H,3-4,9,12H2,1-2H3
InChIKeyGACSDMONLSGIOL-UHFFFAOYSA-N
MW307.82 g/mol
LogP3.68
Rot. Bonds8

About 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine

2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine (PubChem CID 105103537) has the molecular formula C16H22ClN3O and a molecular weight of 307.82 g/mol. Its IUPAC name is 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
PubChem CID105103537
Molecular FormulaC16H22ClN3O
Molecular Weight307.82 g/mol
Exact Mass307.15
IUPAC Name2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
SMILESCCCn1cc(C(COc2ccc(Cl)cc2)NCC)cn1
InChIInChI=1S/C16H22ClN3O/c1-3-9-20-11-13(10-19-20)16(18-4-2)12-21-15-7-5-14(17)6-8-15/h5-8,10-11,16,18H,3-4,9,12H2,1-2H3
InChIKeyGACSDMONLSGIOL-UHFFFAOYSA-N
XLogP3.68
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.82
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine 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-[(2,5-dichlorophenyl)-(1-propylpyrazol-4-yl)methyl]ethanamine
CID 115807598
N-ethyl-2-(2-fluorophenyl)sulfanyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 66053102
2-(2-chloro-4-fluorophenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 63033873
2-(4-chlorophenoxy)-1-(3-chlorothiophen-2-yl)-N-ethylethanamine
CID 107361703
N-[2-(4-chlorophenoxy)-1-(furan-3-yl)ethyl]propan-1-amine
CID 105146820
2-cyclopentyl-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807398
1-(4-bromo-1-propylpyrazol-5-yl)-2-(4-chlorophenoxy)-N-methylethanamine
CID 105183559
2-(3-chlorophenoxy)-1-(4-chlorophenyl)-N-ethylethanamine
CID 105076148
2-(4-chlorophenoxy)-N-ethyl-1-(3-methoxypyrazin-2-yl)ethanamine
CID 105178614
(2S)-1-(4-chlorophenoxy)-3-[2-(4-methylpyrazol-1-yl)ethylamino]propan-2-ol
CID 95349657
2-(2,5-dimethylphenyl)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine
CID 115807276
1-[1-(2-ethoxyethyl)pyrazol-4-yl]-N-ethylpropan-1-amine
CID 62731441

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine (CID 105103537) is 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine is CCCn1cc(C(COc2ccc(Cl)cc2)NCC)cn1.
What is the InChIKey of 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine?
The InChIKey is GACSDMONLSGIOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22ClN3O/c1-3-9-20-11-13(10-19-20)16(18-4-2)12-21-15-7-5-14(17)6-8-15/h5-8,10-11,16,18H,3-4,9,12H2,1-2H3.
What are the key properties of 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine?
2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine has a molecular weight of 307.82 g/mol, XLogP of 3.68, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenoxy)-N-ethyl-1-(1-propylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 105103537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).