2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

C14H17F2N3O — CID 116804257

IUPAC2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2c(F)cc(CCN)cc2F)cn1
InChIInChI=1S/C14H17F2N3O/c1-9(2)19-8-11(7-18-19)20-14-12(15)5-10(3-4-17)6-13(14)16/h5-9H,3-4,17H2,1-2H3
InChIKeyLJIUFISSWCJDKH-UHFFFAOYSA-N
MW281.31 g/mol
LogP3.04
Rot. Bonds5

About 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine

2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (PubChem CID 116804257) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.

Molecular Properties

Compound Name2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
PubChem CID116804257
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
SMILESCC(C)n1cc(Oc2c(F)cc(CCN)cc2F)cn1
InChIInChI=1S/C14H17F2N3O/c1-9(2)19-8-11(7-18-19)20-14-12(15)5-10(3-4-17)6-13(14)16/h5-9H,3-4,17H2,1-2H3
InChIKeyLJIUFISSWCJDKH-UHFFFAOYSA-N
XLogP3.04
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-fluoro-5-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 106533565
2-[2-[4-chloro-2-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]pyrimidin-5-yl]ethanamine
CID 167429894
[2-(1-propan-2-ylpyrazol-4-yl)oxypyrimidin-5-yl]methanamine
CID 116802334
2,4-difluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyaniline
CID 116800554
2-[2-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116804277
3-(1-propan-2-ylpyrazol-4-yl)oxypropan-1-amine
CID 116800727
[5-chloro-6-(1-propan-2-ylpyrazol-4-yl)oxy-3-pyridinyl]methanamine
CID 116803066
[3-bromo-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]methanamine
CID 116800206
3-fluoro-2-(1-propan-2-ylpyrazol-4-yl)oxybenzaldehyde
CID 114067267
2-[4-(4-chloro-3,5-dimethylphenoxy)-3,5-difluorophenyl]ethanamine
CID 63802813
1-[2-fluoro-6-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine
CID 116801761
2-[3,5-difluoro-4-[(2-propan-2-yl-1,2,4-triazol-3-yl)methoxy]phenyl]ethanamine
CID 79881908

Frequently Asked Questions

What is the IUPAC name of 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The IUPAC name of 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine (CID 116804257) is 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine.
What is the SMILES notation for 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The canonical SMILES for 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is CC(C)n1cc(Oc2c(F)cc(CCN)cc2F)cn1.
What is the InChIKey of 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
The InChIKey is LJIUFISSWCJDKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-9(2)19-8-11(7-18-19)20-14-12(15)5-10(3-4-17)6-13(14)16/h5-9H,3-4,17H2,1-2H3.
What are the key properties of 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine?
2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine has a molecular weight of 281.31 g/mol, XLogP of 3.04, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3,5-difluoro-4-(1-propan-2-ylpyrazol-4-yl)oxyphenyl]ethanamine is sourced from PubChem (CID 116804257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).