2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

C14H17Cl2N3 — CID 107311802

IUPAC2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N3/c1-8-13(9(2)19(3)18-8)12(17)7-10-5-4-6-11(15)14(10)16/h4-6,12H,7,17H2,1-3H3
InChIKeyRFRALNLYJKCKOC-UHFFFAOYSA-N
MW298.22 g/mol
LogP3.59
Rot. Bonds3

About 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine

2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (PubChem CID 107311802) has the molecular formula C14H17Cl2N3 and a molecular weight of 298.22 g/mol. Its IUPAC name is 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
PubChem CID107311802
Molecular FormulaC14H17Cl2N3
Molecular Weight298.22 g/mol
Exact Mass297.08
IUPAC Name2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
SMILESCc1nn(C)c(C)c1C(N)Cc1cccc(Cl)c1Cl
InChIInChI=1S/C14H17Cl2N3/c1-8-13(9(2)19(3)18-8)12(17)7-10-5-4-6-11(15)14(10)16/h4-6,12H,7,17H2,1-3H3
InChIKeyRFRALNLYJKCKOC-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.22
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,3-dichlorophenyl)-N-methyl-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 107311906
(2-chlorophenyl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 115580073
1-(3-chloro-2-methylphenyl)-2-(2,3-dichlorophenyl)ethanamine
CID 107312388
2-(2,3-dichlorophenyl)-1-(2-methyl-1,3-thiazol-4-yl)ethanamine
CID 107311807
2-(1-propan-2-ylpyrazol-3-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105154876
(4-chloro-1-benzofuran-2-yl)-(1,3,5-trimethylpyrazol-4-yl)methanamine
CID 114321377
1-(1,3,5-trimethylpyrazol-4-yl)pentan-1-amine
CID 115580072
2-(2,3-dichlorophenyl)-1-(5-methylfuran-3-yl)ethanamine
CID 107312036
3-(2,3-dichlorophenyl)-2-(1,2-dimethylindol-3-yl)propan-1-amine
CID 112539160
2-(2,3-dihydro-1H-inden-5-yl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine
CID 105152416
2-(2-chlorophenyl)-1-(1,3-dimethylpyrazol-4-yl)ethanamine
CID 102803032
2-(2-chlorophenyl)-1-(2,3,4,5,6-pentamethylphenyl)ethanamine
CID 43110651

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The IUPAC name of 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine (CID 107311802) is 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is Cc1nn(C)c(C)c1C(N)Cc1cccc(Cl)c1Cl.
What is the InChIKey of 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
The InChIKey is RFRALNLYJKCKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17Cl2N3/c1-8-13(9(2)19(3)18-8)12(17)7-10-5-4-6-11(15)14(10)16/h4-6,12H,7,17H2,1-3H3.
What are the key properties of 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine?
2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine has a molecular weight of 298.22 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dichlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 107311802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).