2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine

C13H16ClN3 — CID 63976359

IUPAC2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-2-17-13(6-7-16-17)12(15)9-10-4-3-5-11(14)8-10/h3-8,12H,2,9,15H2,1H3
InChIKeyIDXMHZXMKRJKQD-UHFFFAOYSA-N
MW249.75 g/mol
LogP2.80
Rot. Bonds4

About 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine

2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 63976359) has the molecular formula C13H16ClN3 and a molecular weight of 249.75 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID63976359
Molecular FormulaC13H16ClN3
Molecular Weight249.75 g/mol
Exact Mass249.10
IUPAC Name2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(N)Cc1cccc(Cl)c1
InChIInChI=1S/C13H16ClN3/c1-2-17-13(6-7-16-17)12(15)9-10-4-3-5-11(14)8-10/h3-8,12H,2,9,15H2,1H3
InChIKeyIDXMHZXMKRJKQD-UHFFFAOYSA-N
XLogP2.80
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.75
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-2-(3-chlorophenyl)ethanamine
CID 114646510
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 82806876
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethanol
CID 105098116
2-(3-chlorophenyl)-1-(4-methoxy-1-propylpyrazol-5-yl)ethanamine
CID 114646525
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66142205
(2-bromo-5-chlorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 114027064
2-(3-chlorophenyl)-1-phenylethanamine;hydrochloride
CID 3052534
[2-(3-chlorophenoxy)-1-(2-ethylpyrazol-3-yl)ethyl]hydrazine
CID 105307108
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(3-chlorophenyl)ethanamine
CID 114646518
1-(2-ethylpyrazol-3-yl)-4-methylpentan-1-amine
CID 63975113
1-(5-chlorofuran-2-yl)-2-(3-chlorophenyl)ethanamine
CID 106687882

Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine (CID 63976359) is 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine is CCn1nccc1C(N)Cc1cccc(Cl)c1.
What is the InChIKey of 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is IDXMHZXMKRJKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16ClN3/c1-2-17-13(6-7-16-17)12(15)9-10-4-3-5-11(14)8-10/h3-8,12H,2,9,15H2,1H3.
What are the key properties of 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 249.75 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 63976359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).