4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol

C16H15N3O3 — CID 135429325

IUPAC4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
SMILESCOc1cc(O)c(-c2ccn(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16/h3-10,20H,1-2H3
InChIKeyHZPXHTLUASWQFG-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.66
Rot. Bonds4

About 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol

4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol (PubChem CID 135429325) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol.

Molecular Properties

Compound Name4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
PubChem CID135429325
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol
SMILESCOc1cc(O)c(-c2ccn(-c3ccccn3)n2)cc1OC
InChIInChI=1S/C16H15N3O3/c1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16/h3-10,20H,1-2H3
InChIKeyHZPXHTLUASWQFG-UHFFFAOYSA-N
XLogP2.66
TPSA69.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol?
The IUPAC name of 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol (CID 135429325) is 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol.
What is the SMILES notation for 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol?
The canonical SMILES for 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol is COc1cc(O)c(-c2ccn(-c3ccccn3)n2)cc1OC.
What is the InChIKey of 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol?
The InChIKey is HZPXHTLUASWQFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-21-14-9-11(13(20)10-15(14)22-2)12-6-8-19(18-12)16-5-3-4-7-17-16/h3-10,20H,1-2H3.
What are the key properties of 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol?
4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol has a molecular weight of 297.31 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethoxy-2-(1-pyridin-2-ylpyrazol-3-yl)phenol is sourced from PubChem (CID 135429325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).