1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine

C14H17F2N3O — CID 115822923

IUPAC1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H17F2N3O/c1-2-19-9-10(8-18-19)6-13(17)11-4-3-5-12(7-11)20-14(15)16/h3-5,7-9,13-14H,2,6,17H2,1H3
InChIKeyWGYCIVRHQNKNJS-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.75
Rot. Bonds6

About 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine

1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine (PubChem CID 115822923) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
PubChem CID115822923
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine
SMILESCCn1cc(CC(N)c2cccc(OC(F)F)c2)cn1
InChIInChI=1S/C14H17F2N3O/c1-2-19-9-10(8-18-19)6-13(17)11-4-3-5-12(7-11)20-14(15)16/h3-5,7-9,13-14H,2,6,17H2,1H3
InChIKeyWGYCIVRHQNKNJS-UHFFFAOYSA-N
XLogP2.75
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanol
CID 115780549
[1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethyl]hydrazine
CID 105291323
2-(1-ethylpyrazol-4-yl)-1-(3-iodophenyl)ethanamine
CID 115822187
1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-4-yl)ethanol
CID 115780318
2-(1-ethylpyrazol-4-yl)-1-(4-fluorophenyl)ethanamine
CID 62126251
1-(3-ethoxyphenyl)-2-(1-ethylpyrazol-4-yl)ethanol
CID 62127843
2-(4-bromophenyl)-1-[3-(difluoromethoxy)phenyl]ethanamine
CID 61079788
1-[3-(difluoromethoxy)phenyl]-2-(2-propan-2-yl-1,2,4-triazol-3-yl)ethanamine
CID 104999820
1-(2,6-dimethyl-4-pyridinyl)-2-(1-ethylpyrazol-4-yl)ethanamine
CID 107503308
1-[3-(difluoromethoxy)phenyl]-2-methoxyethanamine
CID 112684585
1-[3-(difluoromethoxy)phenyl]nonan-1-amine
CID 115835822
1-[3-(difluoromethoxy)phenyl]-2-(4-methyl-1,3-thiazol-2-yl)ethanamine
CID 105019497

Frequently Asked Questions

What is the IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine?
The IUPAC name of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine (CID 115822923) is 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine.
What is the SMILES notation for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine?
The canonical SMILES for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine is CCn1cc(CC(N)c2cccc(OC(F)F)c2)cn1.
What is the InChIKey of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine?
The InChIKey is WGYCIVRHQNKNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-2-19-9-10(8-18-19)6-13(17)11-4-3-5-12(7-11)20-14(15)16/h3-5,7-9,13-14H,2,6,17H2,1H3.
What are the key properties of 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine?
1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine has a molecular weight of 281.31 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(difluoromethoxy)phenyl]-2-(1-ethylpyrazol-4-yl)ethanamine is sourced from PubChem (CID 115822923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).