2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol

C16H19FN2O3 — CID 142995795

IUPAC2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol
SMILESOCC1CC(O)CC(n2cc(Cc3ccc(F)cc3)cn2)O1
InChIInChI=1S/C16H19FN2O3/c17-13-3-1-11(2-4-13)5-12-8-18-19(9-12)16-7-14(21)6-15(10-20)22-16/h1-4,8-9,14-16,20-21H,5-7,10H2
InChIKeyHZLRTHVYJNUINW-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.64
Rot. Bonds4

About 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol

2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol (PubChem CID 142995795) has the molecular formula C16H19FN2O3 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol
PubChem CID142995795
Molecular FormulaC16H19FN2O3
Molecular Weight306.34 g/mol
Exact Mass306.14
IUPAC Name2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol
SMILESOCC1CC(O)CC(n2cc(Cc3ccc(F)cc3)cn2)O1
InChIInChI=1S/C16H19FN2O3/c17-13-3-1-11(2-4-13)5-12-8-18-19(9-12)16-7-14(21)6-15(10-20)22-16/h1-4,8-9,14-16,20-21H,5-7,10H2
InChIKeyHZLRTHVYJNUINW-UHFFFAOYSA-N
XLogP1.64
TPSA67.51 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol?
The IUPAC name of 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol (CID 142995795) is 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol?
The canonical SMILES for 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol is OCC1CC(O)CC(n2cc(Cc3ccc(F)cc3)cn2)O1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol?
The InChIKey is HZLRTHVYJNUINW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN2O3/c17-13-3-1-11(2-4-13)5-12-8-18-19(9-12)16-7-14(21)6-15(10-20)22-16/h1-4,8-9,14-16,20-21H,5-7,10H2.
What are the key properties of 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol?
2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol has a molecular weight of 306.34 g/mol, XLogP of 1.64, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)methyl]pyrazol-1-yl]-6-(hydroxymethyl)oxan-4-ol is sourced from PubChem (CID 142995795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).