2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine

C16H21Cl2N3 — CID 102812420

IUPAC2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cn(C)nc1CC
InChIInChI=1S/C16H21Cl2N3/c1-4-15-13(10-21(3)20-15)16(19-5-2)9-11-8-12(17)6-7-14(11)18/h6-8,10,16,19H,4-5,9H2,1-3H3
InChIKeyDWYSUNPUULJQHP-UHFFFAOYSA-N
MW326.27 g/mol
LogP4.18
Rot. Bonds6

About 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine

2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine (PubChem CID 102812420) has the molecular formula C16H21Cl2N3 and a molecular weight of 326.27 g/mol. Its IUPAC name is 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
PubChem CID102812420
Molecular FormulaC16H21Cl2N3
Molecular Weight326.27 g/mol
Exact Mass325.11
IUPAC Name2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine
SMILESCCNC(Cc1cc(Cl)ccc1Cl)c1cn(C)nc1CC
InChIInChI=1S/C16H21Cl2N3/c1-4-15-13(10-21(3)20-15)16(19-5-2)9-11-8-12(17)6-7-14(11)18/h6-8,10,16,19H,4-5,9H2,1-3H3
InChIKeyDWYSUNPUULJQHP-UHFFFAOYSA-N
XLogP4.18
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.27
LogP ≤ 54.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-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

1-(2,3-dichlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863199
1-(5-bromo-2-chlorophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863240
2-(2,5-dichlorophenyl)-1-(2,5-difluorophenyl)-N-ethylethanamine
CID 65321484
2-(2,5-dichlorophenyl)-N-ethyl-1-(2-methylphenyl)ethanamine
CID 65321622
2-(3-chloro-4-pyridinyl)-1-(3-ethyl-1-methylpyrazol-4-yl)-N-methylethanamine
CID 102812500
2-(2,5-dichlorophenyl)-1-(3,5-dichlorophenyl)-N-ethylethanamine
CID 115863164
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)-2-thiophen-3-ylethanamine
CID 102812215
[2-(2-chloro-4-methylphenyl)-1-(3-ethyl-1-methylpyrazol-4-yl)ethyl]hydrazine
CID 106868302
1-(2,5-dibromophenyl)-2-(2,5-dichlorophenyl)-N-ethylethanamine
CID 115863189
N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)hexan-1-amine
CID 102812165
2-(2,5-dichlorophenyl)-1-(3,5-dichloro-2-pyridinyl)-N-ethylethanamine
CID 79783709
N-[[5-chloro-2-(3-ethyl-1-methylpyrazol-4-yl)phenyl]methyl]propan-2-amine
CID 66158084

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine (CID 102812420) is 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine is CCNC(Cc1cc(Cl)ccc1Cl)c1cn(C)nc1CC.
What is the InChIKey of 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
The InChIKey is DWYSUNPUULJQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21Cl2N3/c1-4-15-13(10-21(3)20-15)16(19-5-2)9-11-8-12(17)6-7-14(11)18/h6-8,10,16,19H,4-5,9H2,1-3H3.
What are the key properties of 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine?
2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine has a molecular weight of 326.27 g/mol, XLogP of 4.18, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dichlorophenyl)-N-ethyl-1-(3-ethyl-1-methylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 102812420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).