1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one

C20H15F3N4O — CID 70227846

IUPAC1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one
SMILESO=c1ccn(-c2ccccc2)nc1C1CC=NN1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)15-8-4-5-9-16(15)27-17(10-12-24-27)19-18(28)11-13-26(25-19)14-6-2-1-3-7-14/h1-9,11-13,17H,10H2
InChIKeyWNBOFARCZUTFDU-UHFFFAOYSA-N
MW384.36 g/mol
LogP4.19
Rot. Bonds3

About 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one

1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one (PubChem CID 70227846) has the molecular formula C20H15F3N4O and a molecular weight of 384.36 g/mol. Its IUPAC name is 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one.

Molecular Properties

Compound Name1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one
PubChem CID70227846
Molecular FormulaC20H15F3N4O
Molecular Weight384.36 g/mol
Exact Mass384.12
IUPAC Name1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one
SMILESO=c1ccn(-c2ccccc2)nc1C1CC=NN1c1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F3N4O/c21-20(22,23)15-8-4-5-9-16(15)27-17(10-12-24-27)19-18(28)11-13-26(25-19)14-6-2-1-3-7-14/h1-9,11-13,17H,10H2
InChIKeyWNBOFARCZUTFDU-UHFFFAOYSA-N
XLogP4.19
TPSA50.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.36
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one?
The IUPAC name of 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one (CID 70227846) is 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one.
What is the SMILES notation for 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one?
The canonical SMILES for 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one is O=c1ccn(-c2ccccc2)nc1C1CC=NN1c1ccccc1C(F)(F)F.
What is the InChIKey of 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one?
The InChIKey is WNBOFARCZUTFDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F3N4O/c21-20(22,23)15-8-4-5-9-16(15)27-17(10-12-24-27)19-18(28)11-13-26(25-19)14-6-2-1-3-7-14/h1-9,11-13,17H,10H2.
What are the key properties of 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one?
1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one has a molecular weight of 384.36 g/mol, XLogP of 4.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-3-[2-[2-(trifluoromethyl)phenyl]-3,4-dihydropyrazol-3-yl]pyridazin-4-one is sourced from PubChem (CID 70227846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).