2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one

C9H9N3O2 — CID 172758717

IUPAC2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one
SMILESCOc1ncccc1-n1[nH]ccc1=O
InChIInChI=1S/C9H9N3O2/c1-14-9-7(3-2-5-10-9)12-8(13)4-6-11-12/h2-6,11H,1H3
InChIKeyBTQDHLJQNJQUCE-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.57
Rot. Bonds2

About 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one

2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one (PubChem CID 172758717) has the molecular formula C9H9N3O2 and a molecular weight of 191.19 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one
PubChem CID172758717
Molecular FormulaC9H9N3O2
Molecular Weight191.19 g/mol
Exact Mass191.07
IUPAC Name2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one
SMILESCOc1ncccc1-n1[nH]ccc1=O
InChIInChI=1S/C9H9N3O2/c1-14-9-7(3-2-5-10-9)12-8(13)4-6-11-12/h2-6,11H,1H3
InChIKeyBTQDHLJQNJQUCE-UHFFFAOYSA-N
XLogP0.57
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one (CID 172758717) is 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one is COc1ncccc1-n1[nH]ccc1=O.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one?
The InChIKey is BTQDHLJQNJQUCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O2/c1-14-9-7(3-2-5-10-9)12-8(13)4-6-11-12/h2-6,11H,1H3.
What are the key properties of 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one?
2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one has a molecular weight of 191.19 g/mol, XLogP of 0.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-1H-pyrazol-3-one is sourced from PubChem (CID 172758717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).