[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone

C13H9N5O2 — CID 3508753

IUPAC[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
SMILESO=C(c1cccc(C(=O)n2cccn2)n1)n1cccn1
InChIInChI=1S/C13H9N5O2/c19-12(17-8-2-6-14-17)10-4-1-5-11(16-10)13(20)18-9-3-7-15-18/h1-9H
InChIKeyNIBVZLYQHOJDTN-UHFFFAOYSA-N
MW267.25 g/mol
LogP0.85
Rot. Bonds2

About [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone

[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone (PubChem CID 3508753) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone.

Molecular Properties

Compound Name[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
PubChem CID3508753
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone
SMILESO=C(c1cccc(C(=O)n2cccn2)n1)n1cccn1
InChIInChI=1S/C13H9N5O2/c19-12(17-8-2-6-14-17)10-4-1-5-11(16-10)13(20)18-9-3-7-15-18/h1-9H
InChIKeyNIBVZLYQHOJDTN-UHFFFAOYSA-N
XLogP0.85
TPSA82.67 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 50.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone?
The IUPAC name of [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone (CID 3508753) is [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone.
What is the SMILES notation for [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone?
The canonical SMILES for [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone is O=C(c1cccc(C(=O)n2cccn2)n1)n1cccn1.
What is the InChIKey of [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone?
The InChIKey is NIBVZLYQHOJDTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c19-12(17-8-2-6-14-17)10-4-1-5-11(16-10)13(20)18-9-3-7-15-18/h1-9H.
What are the key properties of [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone?
[6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone has a molecular weight of 267.25 g/mol, XLogP of 0.85, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(pyrazole-1-carbonyl)-2-pyridinyl]-pyrazol-1-ylmethanone is sourced from PubChem (CID 3508753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).