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

C17H20F3N3O2 — CID 72718563

IUPAC2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(C)o1
InChIInChI=1S/C17H20F3N3O2/c1-10-9-13(11(2)25-10)16(24)21-7-8-23-14-6-4-3-5-12(14)15(22-23)17(18,19)20/h9H,3-8H2,1-2H3,(H,21,24)
InChIKeyZGHVUIMDIKGOHR-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.42
Rot. Bonds4

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

2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide (PubChem CID 72718563) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide
PubChem CID72718563
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC Name2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(C)o1
InChIInChI=1S/C17H20F3N3O2/c1-10-9-13(11(2)25-10)16(24)21-7-8-23-14-6-4-3-5-12(14)15(22-23)17(18,19)20/h9H,3-8H2,1-2H3,(H,21,24)
InChIKeyZGHVUIMDIKGOHR-UHFFFAOYSA-N
XLogP3.42
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide with MolForge

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Related Compounds

N-[1-(3,5-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24791757
N-[1-(2,3-dimethylphenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-2,5-dimethyl-3-furamide
CID 24793912
N-Furan-2-ylmethyl-2-(3-trifluoromethyl-4,5,6,7-tetrahydro-indazol-1-yl)-acetamide
CID 656000
N-[(Z)-(3,5-dimethyl-1-pentylpyrazol-4-yl)methylideneamino]-2,5-dimethylfuran-3-carboxamide
CID 5976730
N-{2-[2-(4-Fluorophenyl)-4-oxo-4H,5H-pyrazolo[1,5-A]pyrazin-5-YL]ethyl}furan-3-carboxamide
CID 91892641
1,5-dimethyl-N-[[5-methyl-2-(trifluoromethyl)furan-3-yl]methyl]pyrazole-3-carboxamide
CID 2738491
N-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-2,4,5-trimethylfuran-3-carboxamide
CID 45857117
N-[(2,5-dimethylfuran-3-yl)methyl]-3-(4-fluorophenyl)-1-methyl-1H-pyrazole-5-carboxamide
CID 71796907
2,5-dimethyl-N-{2-[3-(trifluoromethyl)-1H-pyrazol-1-yl]ethyl}furan-3-carboxamide
CID 71808005
N-[2-(1-ethyl-3,5-dimethyl-1H-pyrazol-4-yl)ethyl]-5-(4-morpholinylmethyl)-3-furamide
CID 72940970
(2,5-dimethylfuran-3-yl)-[1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
CID 118742743
(2,5-dimethylfuran-3-yl)-[4-(ethoxymethyl)-1-methyl-5,7-dihydro-4H-pyrazolo[5,4-c]pyridin-6-yl]methanone
CID 118742745

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide (CID 72718563) is 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is ZGHVUIMDIKGOHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-10-9-13(11(2)25-10)16(24)21-7-8-23-14-6-4-3-5-12(14)15(22-23)17(18,19)20/h9H,3-8H2,1-2H3,(H,21,24).
What are the key properties of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 3.42, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 72718563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).