6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one

C20H20F3N3O2 — CID 71890692

IUPAC6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1)N1CCCC1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-11-17(14-7-8-14)24-26(19(16)28)12-13-3-5-15(6-4-13)18(27)25-9-1-2-10-25/h3-6,11,14H,1-2,7-10,12H2
InChIKeyCFKVMEQRPPSFHI-UHFFFAOYSA-N
MW391.39 g/mol
LogP3.42
Rot. Bonds4

About 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one

6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one (PubChem CID 71890692) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one
PubChem CID71890692
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one
SMILESO=C(c1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1)N1CCCC1
InChIInChI=1S/C20H20F3N3O2/c21-20(22,23)16-11-17(14-7-8-14)24-26(19(16)28)12-13-3-5-15(6-4-13)18(27)25-9-1-2-10-25/h3-6,11,14H,1-2,7-10,12H2
InChIKeyCFKVMEQRPPSFHI-UHFFFAOYSA-N
XLogP3.42
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-cyclopropyl-2-[(3,4-dichlorophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874406
6-cyclopropyl-2-[2-oxo-2-[5-(pyrrolidine-1-carbonyl)-1H-pyrrol-3-yl]ethyl]-4-(trifluoromethyl)pyridazin-3-one
CID 55874273
[4-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]-piperidin-1-ylmethanone
CID 49013956
5,6-dimethyl-3-oxo-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyridazine-4-carbonitrile
CID 35300920
N-(cyclohexylcarbamoyl)-2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]acetamide
CID 55875175
2-[(3-chloro-1-benzothiophen-2-yl)methyl]-6-cyclopropyl-4-(trifluoromethyl)pyridazin-3-one
CID 55876066
1-[4-[(3,5-dimethylpyrazol-1-yl)methyl]benzoyl]piperidine-4-carboxamide
CID 48981094
2-[3-cyclopropyl-6-oxo-5-(trifluoromethyl)pyridazin-1-yl]-N-(3-pyrrolidin-1-ylsulfonylphenyl)acetamide
CID 55874532
1-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]pyrrolidine-2,5-dione
CID 24540069
6-cyclopropyl-2-[(2-methyl-3-nitrophenyl)methyl]-4-(trifluoromethyl)pyridazin-3-one
CID 71890702
[4-bromo-3-(trifluoromethyl)phenyl]-piperidin-1-ylmethanone
CID 81425967
[4-[(4-cyclopropyl-3-fluoroanilino)methyl]phenyl]-pyrrolidin-1-ylmethanone
CID 119047392

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one (CID 71890692) is 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one is O=C(c1ccc(Cn2nc(C3CC3)cc(C(F)(F)F)c2=O)cc1)N1CCCC1.
What is the InChIKey of 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
The InChIKey is CFKVMEQRPPSFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c21-20(22,23)16-11-17(14-7-8-14)24-26(19(16)28)12-13-3-5-15(6-4-13)18(27)25-9-1-2-10-25/h3-6,11,14H,1-2,7-10,12H2.
What are the key properties of 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one?
6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one has a molecular weight of 391.39 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[[4-(pyrrolidine-1-carbonyl)phenyl]methyl]-4-(trifluoromethyl)pyridazin-3-one is sourced from PubChem (CID 71890692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).