(2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone

C16H13N3O3 — CID 3392078

IUPAC(2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccccn3)c2)c1
InChIInChI=1S/C16H13N3O3/c1-22-12-5-6-14(20)13(8-12)16(21)11-9-18-19(10-11)15-4-2-3-7-17-15/h2-10,20H,1H3
InChIKeyGROHVPFDIXNJGY-UHFFFAOYSA-N
MW295.30 g/mol
LogP2.21
Rot. Bonds4

About (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone

(2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone (PubChem CID 3392078) has the molecular formula C16H13N3O3 and a molecular weight of 295.30 g/mol. Its IUPAC name is (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone.

Molecular Properties

Compound Name(2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone
PubChem CID3392078
Molecular FormulaC16H13N3O3
Molecular Weight295.30 g/mol
Exact Mass295.10
IUPAC Name(2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone
SMILESCOc1ccc(O)c(C(=O)c2cnn(-c3ccccn3)c2)c1
InChIInChI=1S/C16H13N3O3/c1-22-12-5-6-14(20)13(8-12)16(21)11-9-18-19(10-11)15-4-2-3-7-17-15/h2-10,20H,1H3
InChIKeyGROHVPFDIXNJGY-UHFFFAOYSA-N
XLogP2.21
TPSA77.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.30
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone?
The IUPAC name of (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone (CID 3392078) is (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone.
What is the SMILES notation for (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone?
The canonical SMILES for (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone is COc1ccc(O)c(C(=O)c2cnn(-c3ccccn3)c2)c1.
What is the InChIKey of (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone?
The InChIKey is GROHVPFDIXNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N3O3/c1-22-12-5-6-14(20)13(8-12)16(21)11-9-18-19(10-11)15-4-2-3-7-17-15/h2-10,20H,1H3.
What are the key properties of (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone?
(2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone has a molecular weight of 295.30 g/mol, XLogP of 2.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-hydroxy-5-methoxyphenyl)-(1-pyridin-2-ylpyrazol-4-yl)methanone is sourced from PubChem (CID 3392078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).