5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide

C28H19ClF3N3O3 — CID 2742768

IUPAC5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1
InChIInChI=1S/C28H19ClF3N3O3/c1-17-23(15-25(37-17)19-7-11-20(29)12-8-19)27(36)33-26-16-24(34-35(26)21-5-3-2-4-6-21)18-9-13-22(14-10-18)38-28(30,31)32/h2-16H,1H3,(H,33,36)
InChIKeyGJYPUUJZPOQMOR-UHFFFAOYSA-N
MW537.93 g/mol
LogP7.91
Rot. Bonds6

About 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide

5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide (PubChem CID 2742768) has the molecular formula C28H19ClF3N3O3 and a molecular weight of 537.93 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide.

Molecular Properties

Compound Name5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide
PubChem CID2742768
Molecular FormulaC28H19ClF3N3O3
Molecular Weight537.93 g/mol
Exact Mass537.11
IUPAC Name5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide
SMILESCc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1
InChIInChI=1S/C28H19ClF3N3O3/c1-17-23(15-25(37-17)19-7-11-20(29)12-8-19)27(36)33-26-16-24(34-35(26)21-5-3-2-4-6-21)18-9-13-22(14-10-18)38-28(30,31)32/h2-16H,1H3,(H,33,36)
InChIKeyGJYPUUJZPOQMOR-UHFFFAOYSA-N
XLogP7.91
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500537.93
LogP ≤ 57.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 2742756
CID 2742756
CID 2742775
CID 2742775
CID 2742779
CID 2742779
CID 24720476
CID 24720476
CID 46087781
CID 46087781
CID 46087918
CID 46087918
CID 46088030
CID 46088030
CID 46088039
CID 46088039
CID 46088042
CID 46088042
CID 46088091
CID 46088091
CID 46088098
CID 46088098
CID 52555202
CID 52555202

Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide?
The IUPAC name of 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide (CID 2742768) is 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide.
What is the SMILES notation for 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide?
The canonical SMILES for 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide is Cc1oc(-c2ccc(Cl)cc2)cc1C(=O)Nc1cc(-c2ccc(OC(F)(F)F)cc2)nn1-c1ccccc1.
What is the InChIKey of 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide?
The InChIKey is GJYPUUJZPOQMOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H19ClF3N3O3/c1-17-23(15-25(37-17)19-7-11-20(29)12-8-19)27(36)33-26-16-24(34-35(26)21-5-3-2-4-6-21)18-9-13-22(14-10-18)38-28(30,31)32/h2-16H,1H3,(H,33,36).
What are the key properties of 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide?
5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide has a molecular weight of 537.93 g/mol, XLogP of 7.91, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chlorophenyl)-2-methyl-N-[1-phenyl-3-[4-(trifluoromethoxy)phenyl]pyrazol-5-yl]furan-3-carboxamide is sourced from PubChem (CID 2742768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).