1-(1H-pyrazol-4-ylmethyl)pyridin-4-one

C9H9N3O — CID 130569583

IUPAC1-(1H-pyrazol-4-ylmethyl)pyridin-4-one
SMILESO=c1ccn(Cc2cn[nH]c2)cc1
InChIInChI=1S/C9H9N3O/c13-9-1-3-12(4-2-9)7-8-5-10-11-6-8/h1-6H,7H2,(H,10,11)
InChIKeyYPUFNVMTULRWLB-UHFFFAOYSA-N
MW175.19 g/mol
LogP0.62
Rot. Bonds2

About 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one

1-(1H-pyrazol-4-ylmethyl)pyridin-4-one (PubChem CID 130569583) has the molecular formula C9H9N3O and a molecular weight of 175.19 g/mol. Its IUPAC name is 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one.

Molecular Properties

Compound Name1-(1H-pyrazol-4-ylmethyl)pyridin-4-one
PubChem CID130569583
Molecular FormulaC9H9N3O
Molecular Weight175.19 g/mol
Exact Mass175.07
IUPAC Name1-(1H-pyrazol-4-ylmethyl)pyridin-4-one
SMILESO=c1ccn(Cc2cn[nH]c2)cc1
InChIInChI=1S/C9H9N3O/c13-9-1-3-12(4-2-9)7-8-5-10-11-6-8/h1-6H,7H2,(H,10,11)
InChIKeyYPUFNVMTULRWLB-UHFFFAOYSA-N
XLogP0.62
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500175.19
LogP ≤ 50.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one?
The IUPAC name of 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one (CID 130569583) is 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one.
What is the SMILES notation for 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one?
The canonical SMILES for 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one is O=c1ccn(Cc2cn[nH]c2)cc1.
What is the InChIKey of 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one?
The InChIKey is YPUFNVMTULRWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N3O/c13-9-1-3-12(4-2-9)7-8-5-10-11-6-8/h1-6H,7H2,(H,10,11).
What are the key properties of 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one?
1-(1H-pyrazol-4-ylmethyl)pyridin-4-one has a molecular weight of 175.19 g/mol, XLogP of 0.62, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-pyrazol-4-ylmethyl)pyridin-4-one is sourced from PubChem (CID 130569583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).