2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine

C13H15ClFN3 — CID 82806876

IUPAC2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-2-18-12(6-7-17-18)11(16)8-9-4-3-5-10(14)13(9)15/h3-7,11H,2,8,16H2,1H3
InChIKeyLWSFPPCSTSEDTI-UHFFFAOYSA-N
MW267.74 g/mol
LogP2.94
Rot. Bonds4

About 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine

2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine (PubChem CID 82806876) has the molecular formula C13H15ClFN3 and a molecular weight of 267.74 g/mol. Its IUPAC name is 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
PubChem CID82806876
Molecular FormulaC13H15ClFN3
Molecular Weight267.74 g/mol
Exact Mass267.09
IUPAC Name2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
SMILESCCn1nccc1C(N)Cc1cccc(Cl)c1F
InChIInChI=1S/C13H15ClFN3/c1-2-18-12(6-7-17-18)11(16)8-9-4-3-5-10(14)13(9)15/h3-7,11H,2,8,16H2,1H3
InChIKeyLWSFPPCSTSEDTI-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.74
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chlorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine
CID 63976359
1-(2-ethylpyrazol-3-yl)-2-(4-fluorophenyl)ethanamine
CID 63974244
2-(3-chloro-2-fluorophenyl)-1-(1-propylimidazol-2-yl)ethanamine
CID 82805348
1-(3-chloro-2-fluorophenyl)-3-methylbutan-2-amine
CID 82805455
2-(3-chloro-2-fluorophenyl)-1-(5-ethylfuran-2-yl)ethanamine
CID 102867290
2-(2-chlorophenyl)sulfanyl-1-(2-ethylpyrazol-3-yl)ethanamine
CID 66142205
2-(3-chloro-2-fluorophenyl)-1-(4-methyl-3-pyridinyl)ethanamine
CID 82806137
2-(3-chloro-2-fluorophenyl)-N-methyl-1-(2-methylpyrazol-3-yl)ethanamine
CID 82806793
2-(3-chloro-2-fluorophenyl)-1-(4-ethylphenyl)ethanamine
CID 82806145
(2,6-difluorophenyl)-(2-ethylpyrazol-3-yl)methanamine
CID 79522981
2-(3-chloro-2-fluorophenyl)-1-(1-methylimidazol-4-yl)ethanamine
CID 107977894
N-[(3-chloro-2-fluorophenyl)-(2-ethylpyrazol-3-yl)methyl]propan-1-amine
CID 64713123

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine (CID 82806876) is 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine is CCn1nccc1C(N)Cc1cccc(Cl)c1F.
What is the InChIKey of 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
The InChIKey is LWSFPPCSTSEDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15ClFN3/c1-2-18-12(6-7-17-18)11(16)8-9-4-3-5-10(14)13(9)15/h3-7,11H,2,8,16H2,1H3.
What are the key properties of 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine?
2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine has a molecular weight of 267.74 g/mol, XLogP of 2.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-2-fluorophenyl)-1-(2-ethylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 82806876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).