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

C19H18F2N2O2 — CID 75432687

IUPAC1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(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
InChIKeyFGOBKHSAKFLDIA-UHFFFAOYSA-N
MW344.36 g/mol
LogP3.33
Rot. Bonds7

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

1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol (PubChem CID 75432687) has the molecular formula C19H18F2N2O2 and a molecular weight of 344.36 g/mol. Its IUPAC name is 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol.

Molecular Properties

Compound Name1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol
PubChem CID75432687
Molecular FormulaC19H18F2N2O2
Molecular Weight344.36 g/mol
Exact Mass344.13
IUPAC Name1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol
SMILESOC(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
InChIKeyFGOBKHSAKFLDIA-UHFFFAOYSA-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 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
The IUPAC name of 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol (CID 75432687) is 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol.
What is the SMILES notation for 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
The canonical SMILES for 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol is OC(COC(c1ccc(F)cc1)c1ccc(F)cc1)Cn1cccn1.
What is the InChIKey of 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
The InChIKey is FGOBKHSAKFLDIA-UHFFFAOYSA-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.
What are the key properties of 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol?
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 1-[bis(4-fluorophenyl)methoxy]-3-pyrazol-1-ylpropan-2-ol is sourced from PubChem (CID 75432687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).