N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide

C19H18F3N3O2 — CID 90614801

IUPACN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cc2ccccc2o1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)17-13-6-2-3-7-14(13)25(24-17)10-9-23-18(26)16-11-12-5-1-4-8-15(12)27-16/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,23,26)
InChIKeyILSLYADFIRDPLI-UHFFFAOYSA-N
MW377.37 g/mol
LogP3.96
Rot. Bonds4

About N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide

N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide (PubChem CID 90614801) has the molecular formula C19H18F3N3O2 and a molecular weight of 377.37 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
PubChem CID90614801
Molecular FormulaC19H18F3N3O2
Molecular Weight377.37 g/mol
Exact Mass377.14
IUPAC NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cc2ccccc2o1
InChIInChI=1S/C19H18F3N3O2/c20-19(21,22)17-13-6-2-3-7-14(13)25(24-17)10-9-23-18(26)16-11-12-5-1-4-8-15(12)27-16/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,23,26)
InChIKeyILSLYADFIRDPLI-UHFFFAOYSA-N
XLogP3.96
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.37
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
CID 90615544
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614840
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
2-propyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]pentanamide
CID 90614777
2,3-dimethyl-5-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]imidazo[1,2-a]pyridine-8-carboxamide
CID 86653504
N-[2-[3-(4-fluorophenyl)-4-methyl-5-oxo-1,2,4-triazol-1-yl]ethyl]-1-benzofuran-2-carboxamide
CID 121078504
N-[2-[4-methyl-5-oxo-3-(trifluoromethyl)-1,2,4-triazol-1-yl]ethyl]-4-oxochromene-2-carboxamide
CID 90541527
N-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267587
4-propyl-N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]benzamide
CID 90615521

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide (CID 90614801) is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cc2ccccc2o1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?
The InChIKey is ILSLYADFIRDPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O2/c20-19(21,22)17-13-6-2-3-7-14(13)25(24-17)10-9-23-18(26)16-11-12-5-1-4-8-15(12)27-16/h1,4-5,8,11H,2-3,6-7,9-10H2,(H,23,26).
What are the key properties of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide?
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide has a molecular weight of 377.37 g/mol, XLogP of 3.96, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]-1-benzofuran-2-carboxamide is sourced from PubChem (CID 90614801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).