5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

C14H13FN4O2 — CID 163361022

IUPAC5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCC(C)c1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O
InChIInChI=1S/C14H13FN4O2/c1-7(2)8-4-3-5-9(15)13(8)19-11(20)6-10-12(18-19)14(21)17-16-10/h3-7,16H,1-2H3,(H,17,21)
InChIKeySGFJUEBTVZSCRU-UHFFFAOYSA-N
MW288.28 g/mol
LogP1.66
Rot. Bonds2

About 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (PubChem CID 163361022) has the molecular formula C14H13FN4O2 and a molecular weight of 288.28 g/mol. Its IUPAC name is 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
PubChem CID163361022
Molecular FormulaC14H13FN4O2
Molecular Weight288.28 g/mol
Exact Mass288.10
IUPAC Name5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESCC(C)c1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O
InChIInChI=1S/C14H13FN4O2/c1-7(2)8-4-3-5-9(15)13(8)19-11(20)6-10-12(18-19)14(21)17-16-10/h3-7,16H,1-2H3,(H,17,21)
InChIKeySGFJUEBTVZSCRU-UHFFFAOYSA-N
XLogP1.66
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.28
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The IUPAC name of 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (CID 163361022) is 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The canonical SMILES for 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is CC(C)c1cccc(F)c1-n1nc2c(=O)[nH][nH]c2cc1=O.
What is the InChIKey of 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The InChIKey is SGFJUEBTVZSCRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O2/c1-7(2)8-4-3-5-9(15)13(8)19-11(20)6-10-12(18-19)14(21)17-16-10/h3-7,16H,1-2H3,(H,17,21).
What are the key properties of 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione has a molecular weight of 288.28 g/mol, XLogP of 1.66, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-6-propan-2-ylphenyl)-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is sourced from PubChem (CID 163361022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).