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

C19H22F3N3O3 — CID 90614840

IUPAC2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1OC
InChIInChI=1S/C19H22F3N3O3/c1-27-15-9-5-7-13(16(15)28-2)18(26)23-10-11-25-14-8-4-3-6-12(14)17(24-25)19(20,21)22/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,23,26)
InChIKeyFDROMVIKJFFGOP-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.23
Rot. Bonds6

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

2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (PubChem CID 90614840) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
PubChem CID90614840
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC Name2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
SMILESCOc1cccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1OC
InChIInChI=1S/C19H22F3N3O3/c1-27-15-9-5-7-13(16(15)28-2)18(26)23-10-11-25-14-8-4-3-6-12(14)17(24-25)19(20,21)22/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,23,26)
InChIKeyFDROMVIKJFFGOP-UHFFFAOYSA-N
XLogP3.23
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.40
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614857
3,5-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614839
4-(trifluoromethyl)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614856
2-(2-methylphenoxy)-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]acetamide
CID 72718569
N-[2-[3-(trifluoromethyl)-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-1-yl]ethyl]naphthalene-1-carboxamide
CID 90615544
4-propan-2-yloxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide
CID 90614831
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
2,3,4-trimethoxy-N-[2-(4,5,6,7-tetrahydroindazol-1-yl)ethyl]benzamide
CID 90613867
N-[(4-fluorophenyl)methyl]-4-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]butanamide
CID 58267587
N-[2-(3-methylpyrazol-1-yl)ethyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
CID 16677485
N-[(4-chlorophenyl)methyl]-2,3-dimethoxybenzamide
CID 912340
4-[2-[(2,3-dimethoxybenzoyl)amino]ethyl]benzoic acid
CID 45347542

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide (CID 90614840) is 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is COc1cccc(C(=O)NCCn2nc(C(F)(F)F)c3c2CCCC3)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
The InChIKey is FDROMVIKJFFGOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-27-15-9-5-7-13(16(15)28-2)18(26)23-10-11-25-14-8-4-3-6-12(14)17(24-25)19(20,21)22/h5,7,9H,3-4,6,8,10-11H2,1-2H3,(H,23,26).
What are the key properties of 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide?
2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide has a molecular weight of 397.40 g/mol, XLogP of 3.23, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]benzamide is sourced from PubChem (CID 90614840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).