2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one

C14H18F2N4O — CID 154781565

IUPAC2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
SMILESCn1cc(C2=NN(C3CCC(F)(F)CC3)C(=O)CC2)cn1
InChIInChI=1S/C14H18F2N4O/c1-19-9-10(8-17-19)12-2-3-13(21)20(18-12)11-4-6-14(15,16)7-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGOOZZCJEZBQTOO-UHFFFAOYSA-N
MW296.32 g/mol
LogP2.32
Rot. Bonds2

About 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one

2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one (PubChem CID 154781565) has the molecular formula C14H18F2N4O and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one.

Molecular Properties

Compound Name2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
PubChem CID154781565
Molecular FormulaC14H18F2N4O
Molecular Weight296.32 g/mol
Exact Mass296.14
IUPAC Name2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one
SMILESCn1cc(C2=NN(C3CCC(F)(F)CC3)C(=O)CC2)cn1
InChIInChI=1S/C14H18F2N4O/c1-19-9-10(8-17-19)12-2-3-13(21)20(18-12)11-4-6-14(15,16)7-5-11/h8-9,11H,2-7H2,1H3
InChIKeyGOOZZCJEZBQTOO-UHFFFAOYSA-N
XLogP2.32
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
The IUPAC name of 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one (CID 154781565) is 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one.
What is the SMILES notation for 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
The canonical SMILES for 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one is Cn1cc(C2=NN(C3CCC(F)(F)CC3)C(=O)CC2)cn1.
What is the InChIKey of 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
The InChIKey is GOOZZCJEZBQTOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18F2N4O/c1-19-9-10(8-17-19)12-2-3-13(21)20(18-12)11-4-6-14(15,16)7-5-11/h8-9,11H,2-7H2,1H3.
What are the key properties of 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one?
2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one has a molecular weight of 296.32 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,4-difluorocyclohexyl)-6-(1-methylpyrazol-4-yl)-4,5-dihydropyridazin-3-one is sourced from PubChem (CID 154781565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).