2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine

C20H21F2N3 — CID 83987177

IUPAC2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccc(F)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C20H21F2N3/c1-13(2)19-11-20(25(24-19)15-6-4-3-5-7-15)17(12-23)16-9-8-14(21)10-18(16)22/h3-11,13,17H,12,23H2,1-2H3
InChIKeyIWIRDIKDZOMGGT-UHFFFAOYSA-N
MW341.41 g/mol
LogP4.36
Rot. Bonds5

About 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine

2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine (PubChem CID 83987177) has the molecular formula C20H21F2N3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
PubChem CID83987177
Molecular FormulaC20H21F2N3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine
SMILESCC(C)c1cc(C(CN)c2ccc(F)cc2F)n(-c2ccccc2)n1
InChIInChI=1S/C20H21F2N3/c1-13(2)19-11-20(25(24-19)15-6-4-3-5-7-15)17(12-23)16-9-8-14(21)10-18(16)22/h3-11,13,17H,12,23H2,1-2H3
InChIKeyIWIRDIKDZOMGGT-UHFFFAOYSA-N
XLogP4.36
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(4-fluorophenyl)-5-propan-2-ylpyrazol-3-yl]ethanamine
CID 82086518
(1S)-N-[(5-chloro-3-methyl-1-phenylpyrazol-4-yl)methyl]-1-(2,4-difluorophenyl)ethanamine
CID 8688723
cumene;2,4-difluoro-1-propan-2-ylbenzene
CID 156717467
2-(2,4-difluorophenyl)-2-methoxyethanamine
CID 53276228
2-[(2,4-difluorophenyl)-fluoromethyl]-3-methylbutan-1-amine
CID 107443637
(1R)-N-[1-(2,4-difluorophenyl)ethyl]-1-phenylethanamine
CID 78956119
2-(2,4-difluorophenyl)-2-[3-(4-fluorophenyl)-1H-pyrazol-5-yl]ethanamine
CID 83987184
4-[1-(2,4-difluorophenyl)ethylsulfanyl]-1-phenylpyrazolo[5,4-d]pyrimidine
CID 60558325
2-amino-3-(2,4-difluorophenyl)butan-1-ol
CID 83908387
2-(2,4-difluorophenyl)-2-(4,4-dimethylpiperidin-1-yl)ethanamine
CID 55157458
1-amino-2-(2,4-difluorophenyl)-4-methylpentan-3-ol
CID 65189911
1-(2,4-difluorophenyl)-N-[1-(2,4-difluorophenyl)ethyl]ethanamine
CID 43680818

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The IUPAC name of 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine (CID 83987177) is 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine.
What is the SMILES notation for 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The canonical SMILES for 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine is CC(C)c1cc(C(CN)c2ccc(F)cc2F)n(-c2ccccc2)n1.
What is the InChIKey of 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
The InChIKey is IWIRDIKDZOMGGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F2N3/c1-13(2)19-11-20(25(24-19)15-6-4-3-5-7-15)17(12-23)16-9-8-14(21)10-18(16)22/h3-11,13,17H,12,23H2,1-2H3.
What are the key properties of 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine?
2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine has a molecular weight of 341.41 g/mol, XLogP of 4.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-2-(1-phenyl-3-propan-2-ylpyrazol-5-yl)ethanamine is sourced from PubChem (CID 83987177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).