4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide

C19H25F5N4O2 — CID 171493553

IUPAC4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)CC1(F)F
InChIInChI=1S/C19H25F5N4O2/c1-3-7-27(8-4-2)17(30)12-9-28(10-18(12,20)21)13-6-5-11-14(19(22,23)24)16(29)26-25-15(11)13/h12-13H,3-10H2,1-2H3,(H,26,29)
InChIKeyYKCQJEVFTCVCHC-UHFFFAOYSA-N
MW436.43 g/mol
LogP2.99
Rot. Bonds6

About 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide

4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide (PubChem CID 171493553) has the molecular formula C19H25F5N4O2 and a molecular weight of 436.43 g/mol. Its IUPAC name is 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide.

Molecular Properties

Compound Name4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide
PubChem CID171493553
Molecular FormulaC19H25F5N4O2
Molecular Weight436.43 g/mol
Exact Mass436.19
IUPAC Name4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide
SMILESCCCN(CCC)C(=O)C1CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)CC1(F)F
InChIInChI=1S/C19H25F5N4O2/c1-3-7-27(8-4-2)17(30)12-9-28(10-18(12,20)21)13-6-5-11-14(19(22,23)24)16(29)26-25-15(11)13/h12-13H,3-10H2,1-2H3,(H,26,29)
InChIKeyYKCQJEVFTCVCHC-UHFFFAOYSA-N
XLogP2.99
TPSA69.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.43
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide with MolForge

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Related Compounds

7-(3-acetyl-3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;propane;(3R)-N,N,3-trimethylpentan-1-amine
CID 171492741
7-[[3-[4-(Cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492854
3-[[4-(2-fluoropropan-2-yl)-3-oxo-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-methylamino]-N-pentyl-N-propylpropanamide
CID 171492873
N-butyl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide;1-cyclopropylethanone
CID 171492977
7-(3-acetylazetidin-1-yl)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one;N-butyl-N-propylcyclopropanecarboxamide
CID 171492996
1-cyclopropylethanone;3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
CID 171493537
(7R)-7-[[3-[4-(cyclopropanecarbonyl)piperazin-1-yl]-3-oxopropyl]-methylamino]-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 176022182
5-[3-[[ethyl(2,2,2-trifluoroethyl)amino]methyl]pyrrolidine-1-carbonyl]-3,4-dimethyl-1H-pyridazin-6-one
CID 132382222
N-butyl-3-[[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-propylpropanamide
CID 171492727
7-(3-Acetyl-3-methylpyrrolidin-1-yl)-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-3-one
CID 171492742
N-butyl-4-fluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N-propyl-3,6-dihydro-2H-pyridine-5-carboxamide
CID 171492757
3-[[6-methyl-3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]amino]-N-pentyl-N-propylpropanamide
CID 171492787

Frequently Asked Questions

What is the IUPAC name of 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide?
The IUPAC name of 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide (CID 171493553) is 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide.
What is the SMILES notation for 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide?
The canonical SMILES for 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide is CCCN(CCC)C(=O)C1CN(C2CCc3c2n[nH]c(=O)c3C(F)(F)F)CC1(F)F.
What is the InChIKey of 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide?
The InChIKey is YKCQJEVFTCVCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25F5N4O2/c1-3-7-27(8-4-2)17(30)12-9-28(10-18(12,20)21)13-6-5-11-14(19(22,23)24)16(29)26-25-15(11)13/h12-13H,3-10H2,1-2H3,(H,26,29).
What are the key properties of 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide?
4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide has a molecular weight of 436.43 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-difluoro-1-[3-oxo-4-(trifluoromethyl)-2,5,6,7-tetrahydrocyclopenta[c]pyridazin-7-yl]-N,N-dipropylpyrrolidine-3-carboxamide is sourced from PubChem (CID 171493553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).