2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine

C13H16FN3O — CID 114255324

IUPAC2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccccc2F)nn1C
InChIInChI=1S/C13H16FN3O/c1-17-13(18-2)8-12(16-17)11(15)7-9-5-3-4-6-10(9)14/h3-6,8,11H,7,15H2,1-2H3
InChIKeyKFCIWAICGIRNPO-UHFFFAOYSA-N
MW249.29 g/mol
LogP1.81
Rot. Bonds4

About 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine

2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine (PubChem CID 114255324) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
PubChem CID114255324
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
SMILESCOc1cc(C(N)Cc2ccccc2F)nn1C
InChIInChI=1S/C13H16FN3O/c1-17-13(18-2)8-12(16-17)11(15)7-9-5-3-4-6-10(9)14/h3-6,8,11H,7,15H2,1-2H3
InChIKeyKFCIWAICGIRNPO-UHFFFAOYSA-N
XLogP1.81
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine
CID 114255323
[2-(2-chlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine
CID 114255680
(5-methoxy-1-methylpyrazol-3-yl)-(2-methoxyphenyl)methanamine
CID 114255329
2-(5-chloro-2-fluorophenyl)-1-(1,5-dimethylpyrazol-3-yl)ethanamine
CID 114220113
2-(2-fluorophenyl)-1-(4-methoxythiophen-2-yl)ethanamine
CID 81122039
2-(2-fluorophenyl)-1-(2-methoxy-3-pyridinyl)ethanamine
CID 105090092
N-[(2-bromo-3-fluorophenyl)methyl]-5-methoxy-1-methylpyrazol-3-amine
CID 114255821
2-(2-fluorophenyl)-1-(3-methoxythiophen-2-yl)ethanamine
CID 81121905
[2-(2,4-dichlorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethyl]hydrazine
CID 114255685
1-(5-bromo-2-methoxy-4-methylphenyl)-2-(2-fluorophenyl)ethanamine
CID 65440683
2-(2-chloro-3-fluorophenyl)-1-(1-methylpyrazol-3-yl)ethanamine
CID 112653778
(3,5-dimethylphenyl)-(5-methoxy-1-methylpyrazol-3-yl)methanamine
CID 114255334

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
The IUPAC name of 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine (CID 114255324) is 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine.
What is the SMILES notation for 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
The canonical SMILES for 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine is COc1cc(C(N)Cc2ccccc2F)nn1C.
What is the InChIKey of 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
The InChIKey is KFCIWAICGIRNPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-17-13(18-2)8-12(16-17)11(15)7-9-5-3-4-6-10(9)14/h3-6,8,11H,7,15H2,1-2H3.
What are the key properties of 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine?
2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine has a molecular weight of 249.29 g/mol, XLogP of 1.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1-(5-methoxy-1-methylpyrazol-3-yl)ethanamine is sourced from PubChem (CID 114255324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).