N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide

C19H12F3N3O2 — CID 70793773

IUPACN-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)13-4-1-3-12(9-13)18(26)23-17-14-10-11(16-5-2-8-27-16)6-7-15(14)24-25-17/h1-10H,(H2,23,24,25,26)
InChIKeyQJYDJYOKKCQYHE-UHFFFAOYSA-N
MW371.32 g/mol
LogP5.09
Rot. Bonds3

About N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide

N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide (PubChem CID 70793773) has the molecular formula C19H12F3N3O2 and a molecular weight of 371.32 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide
PubChem CID70793773
Molecular FormulaC19H12F3N3O2
Molecular Weight371.32 g/mol
Exact Mass371.09
IUPAC NameN-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C19H12F3N3O2/c20-19(21,22)13-4-1-3-12(9-13)18(26)23-17-14-10-11(16-5-2-8-27-16)6-7-15(14)24-25-17/h1-10H,(H2,23,24,25,26)
InChIKeyQJYDJYOKKCQYHE-UHFFFAOYSA-N
XLogP5.09
TPSA70.92 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.32
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide?
The IUPAC name of N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide (CID 70793773) is N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide is O=C(Nc1n[nH]c2ccc(-c3ccco3)cc12)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide?
The InChIKey is QJYDJYOKKCQYHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F3N3O2/c20-19(21,22)13-4-1-3-12(9-13)18(26)23-17-14-10-11(16-5-2-8-27-16)6-7-15(14)24-25-17/h1-10H,(H2,23,24,25,26).
What are the key properties of N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide?
N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide has a molecular weight of 371.32 g/mol, XLogP of 5.09, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1H-indazol-3-yl]-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 70793773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).