1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine

C15H19F2N3O — CID 104999216

IUPAC1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccccc2OC(F)F)n(C)n1
InChIInChI=1S/C15H19F2N3O/c1-3-10-8-11(20(2)19-10)9-13(18)12-6-4-5-7-14(12)21-15(16)17/h4-8,13,15H,3,9,18H2,1-2H3
InChIKeyRUPOVUDCFVCVEB-UHFFFAOYSA-N
MW295.33 g/mol
LogP2.83
Rot. Bonds6

About 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine

1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (PubChem CID 104999216) has the molecular formula C15H19F2N3O and a molecular weight of 295.33 g/mol. Its IUPAC name is 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
PubChem CID104999216
Molecular FormulaC15H19F2N3O
Molecular Weight295.33 g/mol
Exact Mass295.15
IUPAC Name1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
SMILESCCc1cc(CC(N)c2ccccc2OC(F)F)n(C)n1
InChIInChI=1S/C15H19F2N3O/c1-3-10-8-11(20(2)19-10)9-13(18)12-6-4-5-7-14(12)21-15(16)17/h4-8,13,15H,3,9,18H2,1-2H3
InChIKeyRUPOVUDCFVCVEB-UHFFFAOYSA-N
XLogP2.83
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.33
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylsulfanylphenyl)ethanamine
CID 104999307
(1R)-1-[2-(difluoromethoxy)phenyl]pentan-1-amine;hydrochloride
CID 171211366
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-ethylphenyl)ethyl]hydrazine
CID 105317187
1-(4-bromo-2-chlorophenyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 104999104
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-iodophenyl)ethyl]hydrazine
CID 105317110
N-ethyl-3-(3-ethyl-1-methylpyrazol-5-yl)-2-(2-methylphenyl)propan-1-amine
CID 79423682
2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-methylpyrimidin-4-yl)ethanamine
CID 115530275
(1S)-1-[2-(difluoromethoxy)phenyl]ethane-1,2-diamine
CID 66517155
[2-(3-ethyl-1-methylpyrazol-5-yl)-1-(2-fluoro-3-methylphenyl)ethyl]hydrazine
CID 105317184
1-[2-(difluoromethoxy)phenyl]-2-(4-fluorophenyl)ethanamine
CID 61078331
1-(2,6-dimethyl-4-pyridinyl)-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine
CID 107503326
(1S)-1-[2-(difluoromethoxy)phenyl]-2-methylbutan-1-amine;hydrochloride
CID 171230995

Frequently Asked Questions

What is the IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The IUPAC name of 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine (CID 104999216) is 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The canonical SMILES for 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is CCc1cc(CC(N)c2ccccc2OC(F)F)n(C)n1.
What is the InChIKey of 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
The InChIKey is RUPOVUDCFVCVEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19F2N3O/c1-3-10-8-11(20(2)19-10)9-13(18)12-6-4-5-7-14(12)21-15(16)17/h4-8,13,15H,3,9,18H2,1-2H3.
What are the key properties of 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine?
1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine has a molecular weight of 295.33 g/mol, XLogP of 2.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(difluoromethoxy)phenyl]-2-(3-ethyl-1-methylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 104999216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).