3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one

C17H11ClN6O — CID 46873618

IUPAC3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
SMILESO=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc(Cl)c1
InChIInChI=1S/C17H11ClN6O/c18-16-11-13(3-8-20-16)24-14(4-9-21-24)17-15(25)5-10-23(22-17)12-1-6-19-7-2-12/h1-11H
InChIKeyBYRZCANLVSAXKK-UHFFFAOYSA-N
MW350.77 g/mol
LogP2.53
Rot. Bonds3

About 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one

3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one (PubChem CID 46873618) has the molecular formula C17H11ClN6O and a molecular weight of 350.77 g/mol. Its IUPAC name is 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one.

Molecular Properties

Compound Name3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
PubChem CID46873618
Molecular FormulaC17H11ClN6O
Molecular Weight350.77 g/mol
Exact Mass350.07
IUPAC Name3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one
SMILESO=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc(Cl)c1
InChIInChI=1S/C17H11ClN6O/c18-16-11-13(3-8-20-16)24-14(4-9-21-24)17-15(25)5-10-23(22-17)12-1-6-19-7-2-12/h1-11H
InChIKeyBYRZCANLVSAXKK-UHFFFAOYSA-N
XLogP2.53
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.77
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The IUPAC name of 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one (CID 46873618) is 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one.
What is the SMILES notation for 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The canonical SMILES for 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one is O=c1ccn(-c2ccncc2)nc1-c1ccnn1-c1ccnc(Cl)c1.
What is the InChIKey of 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
The InChIKey is BYRZCANLVSAXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H11ClN6O/c18-16-11-13(3-8-20-16)24-14(4-9-21-24)17-15(25)5-10-23(22-17)12-1-6-19-7-2-12/h1-11H.
What are the key properties of 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one?
3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one has a molecular weight of 350.77 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chloro-4-pyridinyl)pyrazol-3-yl]-1-pyridin-4-ylpyridazin-4-one is sourced from PubChem (CID 46873618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).