5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

C12H7F3N4O2 — CID 1478561

IUPAC5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESO=c1[nH][nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)6-2-1-3-7(4-6)19-9(20)5-8-10(18-19)11(21)17-16-8/h1-5,16H,(H,17,21)
InChIKeyRVYWVPRFDFRPSQ-UHFFFAOYSA-N
MW296.21 g/mol
LogP1.42
Rot. Bonds1

About 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione

5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (PubChem CID 1478561) has the molecular formula C12H7F3N4O2 and a molecular weight of 296.21 g/mol. Its IUPAC name is 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.

Molecular Properties

Compound Name5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
PubChem CID1478561
Molecular FormulaC12H7F3N4O2
Molecular Weight296.21 g/mol
Exact Mass296.05
IUPAC Name5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione
SMILESO=c1[nH][nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12
InChIInChI=1S/C12H7F3N4O2/c13-12(14,15)6-2-1-3-7(4-6)19-9(20)5-8-10(18-19)11(21)17-16-8/h1-5,16H,(H,17,21)
InChIKeyRVYWVPRFDFRPSQ-UHFFFAOYSA-N
XLogP1.42
TPSA83.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.21
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[3-(trifluoromethyl)phenyl]-1,5-dihydro-6H-pyrazolo[4,3-c]pyridazin-6-one
CID 6412478
Pyridazine-3,6(1H,2H)-dione, 1-(3-trifluoromethylphenyl)-
CID 620568
6-oxo-N-(3-(trifluoromethyl)phenyl)-1,6-dihydropyridazine-3-carboxamide
CID 947010
N-[3,5-bis(trifluoromethyl)phenyl]-6-oxo-1H-pyridazine-3-carboxamide
CID 7585575
2-methyl-5-oxo-N-[3-(trifluoromethyl)phenyl]-1H-triazole-4-carboxamide
CID 145951864
2-(cyclopropylmethyl)-5-oxo-N-[3-(trifluoromethyl)phenyl]-1H-triazole-4-carboxamide
CID 145954680
N-[3,5-bis(trifluoromethyl)phenyl]-5-oxo-1,2-dihydrotriazole-4-carboxamide
CID 145987461
(4Z)-4-benzylidene-1-[3-(trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 824107
1-[3-(Trifluoromethyl)phenyl]pyrazolidine-3,5-dione
CID 3737734
5-fluoro-2-[3-(trifluoromethyl)phenyl]-1H-pyridazine-3,6-dione
CID 13615184
1-(3-methylphenyl)-3-(trifluoromethyl)-1H-pyrazol-5-ol
CID 16416859
5-(trifluoromethyl)-2-[3-(trifluoromethyl)phenyl]-1H-pyrazol-3-one
CID 20329967

Frequently Asked Questions

What is the IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The IUPAC name of 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione (CID 1478561) is 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione.
What is the SMILES notation for 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The canonical SMILES for 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is O=c1[nH][nH]c2cc(=O)n(-c3cccc(C(F)(F)F)c3)nc12.
What is the InChIKey of 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
The InChIKey is RVYWVPRFDFRPSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7F3N4O2/c13-12(14,15)6-2-1-3-7(4-6)19-9(20)5-8-10(18-19)11(21)17-16-8/h1-5,16H,(H,17,21).
What are the key properties of 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione?
5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione has a molecular weight of 296.21 g/mol, XLogP of 1.42, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[3-(trifluoromethyl)phenyl]-1,2-dihydropyrazolo[4,3-c]pyridazine-3,6-dione is sourced from PubChem (CID 1478561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).