(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol

C14H17F2N3O — CID 94200232

IUPAC(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
SMILESC[C@@H](Cn1cccn1)NC[C@H](O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3O/c1-10(9-19-6-2-5-18-19)17-8-14(20)12-7-11(15)3-4-13(12)16/h2-7,10,14,17,20H,8-9H2,1H3/t10-,14-/m0/s1
InChIKeyVSHWAENQLQYTQD-HZMBPMFUSA-N
MW281.31 g/mol
LogP1.87
Rot. Bonds6

About (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol

(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol (PubChem CID 94200232) has the molecular formula C14H17F2N3O and a molecular weight of 281.31 g/mol. Its IUPAC name is (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol.

Molecular Properties

Compound Name(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
PubChem CID94200232
Molecular FormulaC14H17F2N3O
Molecular Weight281.31 g/mol
Exact Mass281.13
IUPAC Name(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
SMILESC[C@@H](Cn1cccn1)NC[C@H](O)c1cc(F)ccc1F
InChIInChI=1S/C14H17F2N3O/c1-10(9-19-6-2-5-18-19)17-8-14(20)12-7-11(15)3-4-13(12)16/h2-7,10,14,17,20H,8-9H2,1H3/t10-,14-/m0/s1
InChIKeyVSHWAENQLQYTQD-HZMBPMFUSA-N
XLogP1.87
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,5-difluorophenyl)-2-[[(2R)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol
CID 94200233
1-(2-chlorophenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 61459886
1-[(2S)-2-(2,4-difluorophenyl)-2-hydroxyethyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 95133088
1-(1-pyrazol-1-ylpropan-2-ylamino)butan-2-ol
CID 61462811
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020
1-(4-methoxyphenyl)-2-(1-pyrazol-1-ylpropan-2-ylamino)ethanol
CID 56828855
1-(2,5-difluorophenyl)-2-(1-pyridin-2-ylethylamino)ethanol
CID 60909735
1-(2,5-difluorophenyl)-2-[[(1S)-1-phenylethyl]amino]ethanol
CID 63867817
1-(2,5-difluorophenyl)-2-[[(1S)-1-(4-fluorophenyl)ethyl]amino]ethanol
CID 81347558
1-(2,5-difluorophenyl)-2-[1-(4-fluorophenyl)ethylamino]ethanol
CID 60980572
1-(2,4-dichlorophenyl)-2-(4-pyrazol-1-ylbutan-2-ylamino)ethanol
CID 110012191

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol?
The IUPAC name of (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol (CID 94200232) is (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol.
What is the SMILES notation for (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol?
The canonical SMILES for (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol is C[C@@H](Cn1cccn1)NC[C@H](O)c1cc(F)ccc1F.
What is the InChIKey of (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol?
The InChIKey is VSHWAENQLQYTQD-HZMBPMFUSA-N. The full InChI is InChI=1S/C14H17F2N3O/c1-10(9-19-6-2-5-18-19)17-8-14(20)12-7-11(15)3-4-13(12)16/h2-7,10,14,17,20H,8-9H2,1H3/t10-,14-/m0/s1.
What are the key properties of (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol?
(1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol has a molecular weight of 281.31 g/mol, XLogP of 1.87, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-difluorophenyl)-2-[[(2S)-1-pyrazol-1-ylpropan-2-yl]amino]ethanol is sourced from PubChem (CID 94200232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).