2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine

C13H15Cl2N3 — CID 112742305

IUPAC2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
SMILESCc1cnn(C)c1C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-8-7-17-18(2)13(8)12(16)5-9-3-4-10(14)6-11(9)15/h3-4,6-7,12H,5,16H2,1-2H3
InChIKeyODGAXPKNQMZEMD-UHFFFAOYSA-N
MW284.19 g/mol
LogP3.28
Rot. Bonds3

About 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine

2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine (PubChem CID 112742305) has the molecular formula C13H15Cl2N3 and a molecular weight of 284.19 g/mol. Its IUPAC name is 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
PubChem CID112742305
Molecular FormulaC13H15Cl2N3
Molecular Weight284.19 g/mol
Exact Mass283.06
IUPAC Name2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine
SMILESCc1cnn(C)c1C(N)Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C13H15Cl2N3/c1-8-7-17-18(2)13(8)12(16)5-9-3-4-10(14)6-11(9)15/h3-4,6-7,12H,5,16H2,1-2H3
InChIKeyODGAXPKNQMZEMD-UHFFFAOYSA-N
XLogP3.28
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.19
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-2-(2-chloro-4-fluorophenyl)ethanamine
CID 114650403
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-(2,4-dichlorophenyl)ethanamine
CID 114646758
2-(2,4-dichlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803231
3-(2-chloro-4-fluorophenyl)-2-(1,4-dimethylpyrazol-5-yl)propanamide
CID 91277449
2-(2,4-dichlorophenyl)-1-(4-propan-2-ylphenyl)ethanamine
CID 63414213
2-(2,4-dichlorophenyl)-1-(3,6-dimethylpyridazin-4-yl)ethanamine
CID 105132737
2-(2-chloro-4-methylphenyl)-1-(5-chloro-2-methylphenyl)ethanamine
CID 106866367
(5-chloro-2-methylphenyl)-(1,4-dimethylpyrazol-5-yl)methanol
CID 112742760
2-(2,4-dichlorophenyl)-1-(2,6-dichlorophenyl)ethanamine
CID 115839922
(3R)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propan-1-ol
CID 96739130
2-(2,4-dichlorophenyl)-1-(5-methylthiophen-3-yl)ethanamine
CID 65104603
(3S)-3-amino-3-(1,4-dimethylpyrazol-5-yl)propanamide
CID 131209567

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine (CID 112742305) is 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine is Cc1cnn(C)c1C(N)Cc1ccc(Cl)cc1Cl.
What is the InChIKey of 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
The InChIKey is ODGAXPKNQMZEMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15Cl2N3/c1-8-7-17-18(2)13(8)12(16)5-9-3-4-10(14)6-11(9)15/h3-4,6-7,12H,5,16H2,1-2H3.
What are the key properties of 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine?
2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine has a molecular weight of 284.19 g/mol, XLogP of 3.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenyl)-1-(1,4-dimethylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 112742305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).