(2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol

C19H18F2N2O2 — CID 97243170

IUPAC(2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cccn1
InChIInChI=1S/C19H18F2N2O2/c20-16-6-2-14(3-7-16)19(15-4-8-17(21)9-5-15)25-13-18(24)12-23-11-1-10-22-23/h1-11,18-19,24H,12-13H2/t18-/m0/s1
InChIKeyFGOBKHSAKFLDIA-SFHVURJKSA-N
MW344.36 g/mol
LogP3.33
Rot. Bonds7

About (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol

(2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 97243170) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name(2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol
PubChem CID97243170
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name(2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESO[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cccn1
InChIInChI=1S/C19H18F2N2O2/c20-16-6-2-14(3-7-16)19(15-4-8-17(21)9-5-15)25-13-18(24)12-23-11-1-10-22-23/h1-11,18-19,24H,12-13H2/t18-/m0/s1
InChIKeyFGOBKHSAKFLDIA-SFHVURJKSA-N
XLogP3.33
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.36
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol (CID 97243170) is (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol is O[C@H](COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cccn1.
What is the InChIKey of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is FGOBKHSAKFLDIA-SFHVURJKSA-N. The full InChI is InChI=1S/C19H18F2N2O2/c20-16-6-2-14(3-7-16)19(15-4-8-17(21)9-5-15)25-13-18(24)12-23-11-1-10-22-23/h1-11,18-19,24H,12-13H2/t18-/m0/s1.
What are the key properties of (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
(2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol has a molecular weight of 344.36 g/mol, XLogP of 3.33, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 97243170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).