2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

C15H19Cl2N3 — CID 105136476

IUPAC2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nn1C
InChIInChI=1S/C15H19Cl2N3/c1-4-18-14(15-7-10(2)19-20(15)3)9-11-5-6-12(16)13(17)8-11/h5-8,14,18H,4,9H2,1-3H3
InChIKeyTUSDWKDAMCJPEX-UHFFFAOYSA-N
MW312.24 g/mol
LogP3.93
Rot. Bonds5

About 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine

2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (PubChem CID 105136476) has the molecular formula C15H19Cl2N3 and a molecular weight of 312.24 g/mol. Its IUPAC name is 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.

Molecular Properties

Compound Name2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
PubChem CID105136476
Molecular FormulaC15H19Cl2N3
Molecular Weight312.24 g/mol
Exact Mass311.10
IUPAC Name2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
SMILESCCNC(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nn1C
InChIInChI=1S/C15H19Cl2N3/c1-4-18-14(15-7-10(2)19-20(15)3)9-11-5-6-12(16)13(17)8-11/h5-8,14,18H,4,9H2,1-3H3
InChIKeyTUSDWKDAMCJPEX-UHFFFAOYSA-N
XLogP3.93
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.24
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-methylphenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine
CID 106866129
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(furan-3-yl)ethanamine
CID 105177590
2-(3,4-dichlorophenyl)-N-ethyl-1-(2-methyl-4-pyridinyl)ethanamine
CID 106755126
1-(2,5-dimethylpyrazol-3-yl)-N-ethyl-2-(5-fluoro-2-methylphenyl)ethanamine
CID 105377494
1-(2,6-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63527991
2-(3,4-dichlorophenyl)-1-(3,4-dimethylphenyl)-N-ethylethanamine
CID 63415582
N-[(2,5-dichlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105142188
2-(4-chloro-3-fluorophenyl)-N-ethyl-1-(3-methylimidazol-4-yl)ethanamine
CID 107885107
1-(2,5-dimethylpyrazol-3-yl)-N-ethylheptan-1-amine
CID 105125896
1-(2,5-dimethylpyrazol-3-yl)-N-ethylpent-3-yn-1-amine
CID 105112063
1-(2,3-dichlorophenyl)-2-(3,4-dichlorophenyl)-N-ethylethanamine
CID 63415966
2-(3-chloro-4-fluorophenyl)-1-(2,5-dimethylpyrazol-3-yl)ethanol
CID 103043648

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The IUPAC name of 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine (CID 105136476) is 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine.
What is the SMILES notation for 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The canonical SMILES for 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is CCNC(Cc1ccc(Cl)c(Cl)c1)c1cc(C)nn1C.
What is the InChIKey of 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
The InChIKey is TUSDWKDAMCJPEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19Cl2N3/c1-4-18-14(15-7-10(2)19-20(15)3)9-11-5-6-12(16)13(17)8-11/h5-8,14,18H,4,9H2,1-3H3.
What are the key properties of 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine?
2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine has a molecular weight of 312.24 g/mol, XLogP of 3.93, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dichlorophenyl)-1-(2,5-dimethylpyrazol-3-yl)-N-ethylethanamine is sourced from PubChem (CID 105136476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).