3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

C26H22ClF3N6O3 — CID 56642147

IUPAC3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H22ClF3N6O3/c27-22-8-9-23(32-31-22)36-20(17-3-5-18(6-4-17)26(28,29)30)16-19(33-36)7-10-24(37)34-11-13-35(14-12-34)25(38)21-2-1-15-39-21/h1-6,8-9,15-16H,7,10-14H2
InChIKeySVRVXCGGIUWYAY-UHFFFAOYSA-N
MW558.95 g/mol
LogP4.51
Rot. Bonds6

About 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one

3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (PubChem CID 56642147) has the molecular formula C26H22ClF3N6O3 and a molecular weight of 558.95 g/mol. Its IUPAC name is 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
PubChem CID56642147
Molecular FormulaC26H22ClF3N6O3
Molecular Weight558.95 g/mol
Exact Mass558.14
IUPAC Name3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
SMILESO=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)c2ccco2)CC1
InChIInChI=1S/C26H22ClF3N6O3/c27-22-8-9-23(32-31-22)36-20(17-3-5-18(6-4-17)26(28,29)30)16-19(33-36)7-10-24(37)34-11-13-35(14-12-34)25(38)21-2-1-15-39-21/h1-6,8-9,15-16H,7,10-14H2
InChIKeySVRVXCGGIUWYAY-UHFFFAOYSA-N
XLogP4.51
TPSA97.36 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500558.95
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4-pyrrol-1-ylphenyl) 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propanoate
CID 56642149
1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-[1-phenyl-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]propan-1-one
CID 56642289
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(1,3-oxazol-4-yl)propan-1-one
CID 110679021
furan-2-yl-[4-[[2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-4-yl]methyl]piperazin-1-yl]methanone
CID 37376323
1-[4-[(4-tert-butylphenyl)methyl]piperazin-1-yl]-3-[1-(4-chlorophenyl)-5-(4-fluorophenyl)pyrazol-3-yl]propan-1-one
CID 56642287
[2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl] 3-(trifluoromethyl)benzoate
CID 2504418
3-[5-(4-fluorophenyl)-1,2-oxazol-4-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 22221011
3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 38910307
1-[4-(furan-2-carbonyl)piperazin-1-yl]-4-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]butan-1-one
CID 5308433
1-[4-(furan-2-carbonyl)piperazin-1-yl]-3-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propan-1-one
CID 110388603
3-(3-chloro-4-methylanilino)-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one
CID 109030101
[4-[6-(azepan-1-yl)pyridazin-3-yl]piperazin-1-yl]-(furan-2-yl)methanone
CID 7292456

Frequently Asked Questions

What is the IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one (CID 56642147) is 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is O=C(CCc1cc(-c2ccc(C(F)(F)F)cc2)n(-c2ccc(Cl)nn2)n1)N1CCN(C(=O)c2ccco2)CC1.
What is the InChIKey of 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
The InChIKey is SVRVXCGGIUWYAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22ClF3N6O3/c27-22-8-9-23(32-31-22)36-20(17-3-5-18(6-4-17)26(28,29)30)16-19(33-36)7-10-24(37)34-11-13-35(14-12-34)25(38)21-2-1-15-39-21/h1-6,8-9,15-16H,7,10-14H2.
What are the key properties of 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one?
3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one has a molecular weight of 558.95 g/mol, XLogP of 4.51, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(6-chloropyridazin-3-yl)-5-[4-(trifluoromethyl)phenyl]pyrazol-3-yl]-1-[4-(furan-2-carbonyl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 56642147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).