2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine

C13H16ClN3 — CID 55022519

IUPAC2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(C(CN)c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN3/c1-9-7-10(2)17(16-9)13(8-15)11-5-3-4-6-12(11)14/h3-7,13H,8,15H2,1-2H3
InChIKeyBBABVLHUWUDHJL-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.70
Rot. Bonds3

About 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine

2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine (PubChem CID 55022519) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine.

Molecular Properties

Compound Name2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
PubChem CID55022519
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine
SMILESCc1cc(C)n(C(CN)c2ccccc2Cl)n1
InChIInChI=1S/C13H16ClN3/c1-9-7-10(2)17(16-9)13(8-15)11-5-3-4-6-12(11)14/h3-7,13H,8,15H2,1-2H3
InChIKeyBBABVLHUWUDHJL-UHFFFAOYSA-N
XLogP2.70
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-2-(2-fluorophenyl)ethanamine
CID 55018981
1-(2-chlorophenyl)-1-(3,5-dimethylpyrazol-1-yl)propan-2-amine
CID 55022520
2-(4-chloro-3,5-dimethylpyrazol-1-yl)-2-(2-chlorophenyl)ethanamine
CID 55038887
1-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanol
CID 82087522
2-(2-bromophenyl)-2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethanamine
CID 62129333
2-amino-1-[2-(3,5-dimethylpyrazol-1-yl)phenyl]ethanol
CID 83823935
1-[2-amino-1-(2-chlorophenyl)ethyl]-1,2,4-triazole-3-carbonitrile
CID 62950667
1-[(1R)-1-(3-chlorophenyl)-2-nitroethyl]-3,5-dimethylpyrazole
CID 698172
(3R)-N-[(2-chlorophenyl)methyl]-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693192
(3S)-N-(3-chloro-2-methylphenyl)-3-(3,5-dimethylpyrazol-1-yl)butanamide
CID 92693215
2-(4-tert-butylpiperazin-1-yl)-2-(2-chlorophenyl)ethanamine
CID 61429571
N-[(2-chlorophenyl)-(2,5-dimethylpyrazol-3-yl)methyl]ethanamine
CID 105099548

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The IUPAC name of 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine (CID 55022519) is 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine.
What is the SMILES notation for 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The canonical SMILES for 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine is Cc1cc(C)n(C(CN)c2ccccc2Cl)n1.
What is the InChIKey of 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
The InChIKey is BBABVLHUWUDHJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-9-7-10(2)17(16-9)13(8-15)11-5-3-4-6-12(11)14/h3-7,13H,8,15H2,1-2H3.
What are the key properties of 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine?
2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-2-(3,5-dimethylpyrazol-1-yl)ethanamine is sourced from PubChem (CID 55022519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).