3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine

C18H11ClFN5 — CID 23080617

IUPAC3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine
SMILESFc1ccc(-c2nn(-c3ccc(Cl)nn3)cc2-c2ccncc2)cc1
InChIInChI=1S/C18H11ClFN5/c19-16-5-6-17(23-22-16)25-11-15(12-7-9-21-10-8-12)18(24-25)13-1-3-14(20)4-2-13/h1-11H
InChIKeyKNJQXMYOEWIMKZ-UHFFFAOYSA-N
MW351.77 g/mol
LogP4.18
Rot. Bonds3

About 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine

3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine (PubChem CID 23080617) has the molecular formula C18H11ClFN5 and a molecular weight of 351.77 g/mol. Its IUPAC name is 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine.

Molecular Properties

Compound Name3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine
PubChem CID23080617
Molecular FormulaC18H11ClFN5
Molecular Weight351.77 g/mol
Exact Mass351.07
IUPAC Name3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine
SMILESFc1ccc(-c2nn(-c3ccc(Cl)nn3)cc2-c2ccncc2)cc1
InChIInChI=1S/C18H11ClFN5/c19-16-5-6-17(23-22-16)25-11-15(12-7-9-21-10-8-12)18(24-25)13-1-3-14(20)4-2-13/h1-11H
InChIKeyKNJQXMYOEWIMKZ-UHFFFAOYSA-N
XLogP4.18
TPSA56.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.77
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-6-[3-(4-fluorophenyl)-4-(2-methylsulfanylpyrimidin-4-yl)pyrazol-1-yl]pyridazine
CID 23080608
4-[4-(4-fluorophenyl)-1-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]pyridine
CID 56951008
4-[3-(4-fluorophenyl)-1-(4-methylsulfanylphenyl)pyrazol-4-yl]pyridine
CID 15837968
2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]-5-(trifluoromethyl)-1,3,4-thiadiazole
CID 67106772
4-[3-(4-fluorophenyl)-1-[3-(trifluoromethyl)-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]pyrazol-4-yl]pyridin-2-amine
CID 10048870
4-[3-(4-fluorophenyl)-1-(1H-imidazol-2-ylmethyl)pyrazol-4-yl]pyridine
CID 67107247
4-[3-(4-fluorophenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyridine
CID 67107099
N-[4-[3-(4-fluorophenyl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)pyrazol-4-yl]-2-pyridinyl]acetamide
CID 10341704
1-[2-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]ethyl]-6-oxopyridine-3-carboxylic acid
CID 110129647
2-[3-(4-chlorophenyl)-4-(4-methylphenyl)pyrazol-1-yl]pyridine
CID 25253103
2-[[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]methyl]benzonitrile
CID 67106113
4-[3-(4-fluorophenyl)-1-methylpyrazol-4-yl]-2-methylpyridine
CID 155401195

Frequently Asked Questions

What is the IUPAC name of 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine?
The IUPAC name of 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine (CID 23080617) is 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine.
What is the SMILES notation for 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine?
The canonical SMILES for 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine is Fc1ccc(-c2nn(-c3ccc(Cl)nn3)cc2-c2ccncc2)cc1.
What is the InChIKey of 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine?
The InChIKey is KNJQXMYOEWIMKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H11ClFN5/c19-16-5-6-17(23-22-16)25-11-15(12-7-9-21-10-8-12)18(24-25)13-1-3-14(20)4-2-13/h1-11H.
What are the key properties of 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine?
3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine has a molecular weight of 351.77 g/mol, XLogP of 4.18, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-6-[3-(4-fluorophenyl)-4-pyridin-4-ylpyrazol-1-yl]pyridazine is sourced from PubChem (CID 23080617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).