1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine

C14H17F2N3O — CID 79888311

IUPAC1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(OCCn2cccn2)c(F)c1
InChIInChI=1S/C14H17F2N3O/c1-10(17)7-11-8-12(15)14(13(16)9-11)20-6-5-19-4-2-3-18-19/h2-4,8-10H,5-7,17H2,1H3
InChIKeyLFPMAWLBLBZCEK-UHFFFAOYSA-N
MW281.31 g/mol
LogP2.13
Rot. Bonds6

About 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine

1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine (PubChem CID 79888311) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
PubChem CID79888311
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
SMILESCC(N)Cc1cc(F)c(OCCn2cccn2)c(F)c1
InChIInChI=1S/C14H17F2N3O/c1-10(17)7-11-8-12(15)14(13(16)9-11)20-6-5-19-4-2-3-18-19/h2-4,8-10H,5-7,17H2,1H3
InChIKeyLFPMAWLBLBZCEK-UHFFFAOYSA-N
XLogP2.13
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 ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-bromo-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine
CID 63051668
1-(4-ethoxy-3,5-difluorophenyl)propan-2-amine;hydrochloride
CID 170894171
1-[3,5-difluoro-4-[2-(2-methylpropoxy)ethoxy]phenyl]propan-2-amine
CID 106455652
N-[[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 115955059
2-[3-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 112615203
(1S)-1-[4-fluoro-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 55189579
4-[4-(2-pyrazol-1-ylethoxy)phenyl]butan-2-amine
CID 61491560
1-[3,5-difluoro-4-[(2-methyl-1,3-thiazol-5-yl)methoxy]phenyl]propan-2-amine
CID 79888393
N-[[3-fluoro-4-(2-pyrazol-1-ylethoxy)phenyl]methyl]ethanamine
CID 107686809
(1S)-1-[4-methyl-2-(2-pyrazol-1-ylethoxy)phenyl]ethanamine
CID 63650094
3-[4-(2-aminopropyl)-2,6-difluorophenoxy]-2-methylpropanamide
CID 79887691
1-[4-[(2-bromophenyl)methoxy]-3,5-difluorophenyl]propan-2-amine
CID 79882528

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine (CID 79888311) is 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine is CC(N)Cc1cc(F)c(OCCn2cccn2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
The InChIKey is LFPMAWLBLBZCEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10(17)7-11-8-12(15)14(13(16)9-11)20-6-5-19-4-2-3-18-19/h2-4,8-10H,5-7,17H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine?
1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine has a molecular weight of 281.31 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-(2-pyrazol-1-ylethoxy)phenyl]propan-2-amine is sourced from PubChem (CID 79888311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).