2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol

C18H18FN3O2 — CID 147734895

IUPAC2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1F
InChIInChI=1S/C18H18FN3O2/c1-18(2,23)14-9-12(3-5-15(14)19)11-24-13-4-6-16(20-10-13)17-7-8-21-22-17/h3-10,23H,11H2,1-2H3,(H,21,22)
InChIKeyGZDWVUGQSDACBQ-UHFFFAOYSA-N
MW327.36 g/mol
LogP3.42
Rot. Bonds5

About 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol

2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol (PubChem CID 147734895) has the molecular formula C18H18FN3O2 and a molecular weight of 327.36 g/mol. Its IUPAC name is 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol
PubChem CID147734895
Molecular FormulaC18H18FN3O2
Molecular Weight327.36 g/mol
Exact Mass327.14
IUPAC Name2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol
SMILESCC(C)(O)c1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1F
InChIInChI=1S/C18H18FN3O2/c1-18(2,23)14-9-12(3-5-15(14)19)11-24-13-4-6-16(20-10-13)17-7-8-21-22-17/h3-10,23H,11H2,1-2H3,(H,21,22)
InChIKeyGZDWVUGQSDACBQ-UHFFFAOYSA-N
XLogP3.42
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.36
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol (CID 147734895) is 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol is CC(C)(O)c1cc(COc2ccc(-c3ccn[nH]3)nc2)ccc1F.
What is the InChIKey of 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
The InChIKey is GZDWVUGQSDACBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN3O2/c1-18(2,23)14-9-12(3-5-15(14)19)11-24-13-4-6-16(20-10-13)17-7-8-21-22-17/h3-10,23H,11H2,1-2H3,(H,21,22).
What are the key properties of 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol?
2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol has a molecular weight of 327.36 g/mol, XLogP of 3.42, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-5-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenyl]propan-2-ol is sourced from PubChem (CID 147734895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).