N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide

C27H21F3N4O2 — CID 2323881

IUPACN-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide
SMILESCc1cc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N4O2/c1-17-14-22(18(2)33(17)21-11-6-8-19(15-21)27(28,29)30)23-16-25(31-26(35)24-12-7-13-36-24)34(32-23)20-9-4-3-5-10-20/h3-16H,1-2H3,(H,31,35)
InChIKeyYMRAFYNUQXTNGU-UHFFFAOYSA-N
MW490.49 g/mol
LogP6.81
Rot. Bonds5

About N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide

N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide (PubChem CID 2323881) has the molecular formula C27H21F3N4O2 and a molecular weight of 490.49 g/mol. Its IUPAC name is N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide
PubChem CID2323881
Molecular FormulaC27H21F3N4O2
Molecular Weight490.49 g/mol
Exact Mass490.16
IUPAC NameN-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide
SMILESCc1cc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c(C)n1-c1cccc(C(F)(F)F)c1
InChIInChI=1S/C27H21F3N4O2/c1-17-14-22(18(2)33(17)21-11-6-8-19(15-21)27(28,29)30)23-16-25(31-26(35)24-12-7-13-36-24)34(32-23)20-9-4-3-5-10-20/h3-16H,1-2H3,(H,31,35)
InChIKeyYMRAFYNUQXTNGU-UHFFFAOYSA-N
XLogP6.81
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.49
LogP ≤ 56.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_A(118)', 'substructure': 'N/A'}

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Related Compounds

N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(4-((dimethylamino)methyl)phenoxy)acetamide
CID 24739309
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-fluoro-5-(pyrrolidin-1-ylmethyl)phenoxy)acetamide
CID 24739812
N-(6-(3,5-dimethyl-1H-pyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl)-2-(3-((dimethylamino)methyl)-5-fluorophenoxy)acetamide
CID 24739814
N-[2-methyl-4-phenyl-5-(trifluoromethyl)pyrazol-3-yl]furan-2-carboxamide
CID 2812003
N-(1-((4-(trifluoromethyl)phenyl)methyl)-1H-indazol-3-yl)furan-2-carboxamide
CID 73331364
5-(2-furoylamino)-N-(4-methylphenyl)-1-phenyl-1H-pyrazole-4-carboxamide
CID 653788
N-(5,7-diphenyl-[1,2,4]triazolo[1,5-a]pyrimidin-2-yl)furan-2-carboxamide
CID 661823
5-(furan-2-carbonylamino)-1-phenyl-N-(4-propan-2-ylphenyl)pyrazole-4-carboxamide
CID 1067709
N-(3-tert-butyl-1-phenylpyrazol-5-yl)furan-2-carboxamide
CID 2473696
N-(4-(3-methyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)phenyl)furan-2-carboxamide
CID 7217841
2-(3,4-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454781
2-(3,5-difluorophenyl)-N-[6-(3,5-dimethylpyrazol-1-yl)-2-(5-methylfuran-2-yl)pyrimidin-4-yl]acetamide
CID 44454808

Frequently Asked Questions

What is the IUPAC name of N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide?
The IUPAC name of N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide (CID 2323881) is N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide.
What is the SMILES notation for N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide?
The canonical SMILES for N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide is Cc1cc(-c2cc(NC(=O)c3ccco3)n(-c3ccccc3)n2)c(C)n1-c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide?
The InChIKey is YMRAFYNUQXTNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H21F3N4O2/c1-17-14-22(18(2)33(17)21-11-6-8-19(15-21)27(28,29)30)23-16-25(31-26(35)24-12-7-13-36-24)34(32-23)20-9-4-3-5-10-20/h3-16H,1-2H3,(H,31,35).
What are the key properties of N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide?
N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide has a molecular weight of 490.49 g/mol, XLogP of 6.81, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrrol-3-yl]-1-phenylpyrazol-5-yl]furan-2-carboxamide is sourced from PubChem (CID 2323881), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).