3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol

C15H13N3O2 — CID 137487827

IUPAC3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
SMILESOc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C15H13N3O2/c19-12-3-1-2-11(8-12)10-20-13-4-5-14(16-9-13)15-6-7-17-18-15/h1-9,19H,10H2,(H,17,18)
InChIKeyXDCFMZBFUQMRAG-UHFFFAOYSA-N
MW267.29 g/mol
LogP2.76
Rot. Bonds4

About 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol

3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol (PubChem CID 137487827) has the molecular formula C15H13N3O2 and a molecular weight of 267.29 g/mol. Its IUPAC name is 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol.

Molecular Properties

Compound Name3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
PubChem CID137487827
Molecular FormulaC15H13N3O2
Molecular Weight267.29 g/mol
Exact Mass267.10
IUPAC Name3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol
SMILESOc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1
InChIInChI=1S/C15H13N3O2/c19-12-3-1-2-11(8-12)10-20-13-4-5-14(16-9-13)15-6-7-17-18-15/h1-9,19H,10H2,(H,17,18)
InChIKeyXDCFMZBFUQMRAG-UHFFFAOYSA-N
XLogP2.76
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.29
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The IUPAC name of 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol (CID 137487827) is 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol.
What is the SMILES notation for 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The canonical SMILES for 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol is Oc1cccc(COc2ccc(-c3ccn[nH]3)nc2)c1.
What is the InChIKey of 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
The InChIKey is XDCFMZBFUQMRAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O2/c19-12-3-1-2-11(8-12)10-20-13-4-5-14(16-9-13)15-6-7-17-18-15/h1-9,19H,10H2,(H,17,18).
What are the key properties of 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol?
3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol has a molecular weight of 267.29 g/mol, XLogP of 2.76, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxymethyl]phenol is sourced from PubChem (CID 137487827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).