2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol

C16H21FN2O2 — CID 79445069

IUPAC2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
SMILESCC(C)n1ccc(CC(CO)(CO)c2cccc(F)c2)n1
InChIInChI=1S/C16H21FN2O2/c1-12(2)19-7-6-15(18-19)9-16(10-20,11-21)13-4-3-5-14(17)8-13/h3-8,12,20-21H,9-11H2,1-2H3
InChIKeyPVFMOIHXWYBZML-UHFFFAOYSA-N
MW292.35 g/mol
LogP2.07
Rot. Bonds6

About 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol

2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol (PubChem CID 79445069) has the molecular formula C16H21FN2O2 and a molecular weight of 292.35 g/mol. Its IUPAC name is 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol.

Molecular Properties

Compound Name2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
PubChem CID79445069
Molecular FormulaC16H21FN2O2
Molecular Weight292.35 g/mol
Exact Mass292.16
IUPAC Name2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol
SMILESCC(C)n1ccc(CC(CO)(CO)c2cccc(F)c2)n1
InChIInChI=1S/C16H21FN2O2/c1-12(2)19-7-6-15(18-19)9-16(10-20,11-21)13-4-3-5-14(17)8-13/h3-8,12,20-21H,9-11H2,1-2H3
InChIKeyPVFMOIHXWYBZML-UHFFFAOYSA-N
XLogP2.07
TPSA58.28 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.35
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
The IUPAC name of 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol (CID 79445069) is 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol.
What is the SMILES notation for 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
The canonical SMILES for 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol is CC(C)n1ccc(CC(CO)(CO)c2cccc(F)c2)n1.
What is the InChIKey of 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
The InChIKey is PVFMOIHXWYBZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN2O2/c1-12(2)19-7-6-15(18-19)9-16(10-20,11-21)13-4-3-5-14(17)8-13/h3-8,12,20-21H,9-11H2,1-2H3.
What are the key properties of 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol?
2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol has a molecular weight of 292.35 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-fluorophenyl)-2-[(1-propan-2-ylpyrazol-3-yl)methyl]propane-1,3-diol is sourced from PubChem (CID 79445069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).