N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide

C25H23N3O3 — CID 122244409

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)C2c3ccccc3Oc3ccccc32)c2ccco2)n1
InChIInChI=1S/C25H23N3O3/c1-16-14-17(2)28(27-16)20(23-12-7-13-30-23)15-26-25(29)24-18-8-3-5-10-21(18)31-22-11-6-4-9-19(22)24/h3-14,20,24H,15H2,1-2H3,(H,26,29)
InChIKeyFNXFNBJLASGZOT-UHFFFAOYSA-N
MW413.48 g/mol
LogP4.74
Rot. Bonds5

About N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide (PubChem CID 122244409) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide
PubChem CID122244409
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide
SMILESCc1cc(C)n(C(CNC(=O)C2c3ccccc3Oc3ccccc32)c2ccco2)n1
InChIInChI=1S/C25H23N3O3/c1-16-14-17(2)28(27-16)20(23-12-7-13-30-23)15-26-25(29)24-18-8-3-5-10-21(18)31-22-11-6-4-9-19(22)24/h3-14,20,24H,15H2,1-2H3,(H,26,29)
InChIKeyFNXFNBJLASGZOT-UHFFFAOYSA-N
XLogP4.74
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]furan-2-carboxamide
CID 122244387
2-benzylsulfanyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]acetamide
CID 122244404
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-methoxyacetamide
CID 122265475
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2,5-dimethylfuran-3-carboxamide
CID 122265497
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 122265610
N'-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-N-prop-2-enyloxamide
CID 122265812
[(1R)-1-(furan-2-yl)-2-(9H-xanthene-9-carbonylamino)ethyl]-dimethylazanium
CID 2550517
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 122265668
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(4-fluorophenyl)acetamide
CID 122244394
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-2-(2,5-dioxopyrrolidin-1-yl)acetamide
CID 122244396
3-cyclopentyl-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]propanamide
CID 122265498
(E)-N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-3-thiophen-2-ylprop-2-enamide
CID 122244395

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide (CID 122244409) is N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide is Cc1cc(C)n(C(CNC(=O)C2c3ccccc3Oc3ccccc32)c2ccco2)n1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
The InChIKey is FNXFNBJLASGZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-16-14-17(2)28(27-16)20(23-12-7-13-30-23)15-26-25(29)24-18-8-3-5-10-21(18)31-22-11-6-4-9-19(22)24/h3-14,20,24H,15H2,1-2H3,(H,26,29).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 4.74, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-2-(furan-2-yl)ethyl]-9H-xanthene-9-carboxamide is sourced from PubChem (CID 122244409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).