N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C19H22F3N3O3 — CID 58267301

IUPACN-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1
InChIInChI=1S/C19H22F3N3O3/c1-27-13-7-12(8-14(9-13)28-2)10-23-17(26)11-25-16-6-4-3-5-15(16)18(24-25)19(20,21)22/h7-9H,3-6,10-11H2,1-2H3,(H,23,26)
InChIKeyURTBFGZKMVBFHR-UHFFFAOYSA-N
MW397.40 g/mol
LogP3.11
Rot. Bonds6

About N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 58267301) has the molecular formula C19H22F3N3O3 and a molecular weight of 397.40 g/mol. Its IUPAC name is N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID58267301
Molecular FormulaC19H22F3N3O3
Molecular Weight397.40 g/mol
Exact Mass397.16
IUPAC NameN-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCOc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1
InChIInChI=1S/C19H22F3N3O3/c1-27-13-7-12(8-14(9-13)28-2)10-23-17(26)11-25-16-6-4-3-5-15(16)18(24-25)19(20,21)22/h7-9H,3-6,10-11H2,1-2H3,(H,23,26)
InChIKeyURTBFGZKMVBFHR-UHFFFAOYSA-N
XLogP3.11
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 ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 58267301) is N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is COc1cc(CNC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)cc(OC)c1.
What is the InChIKey of N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is URTBFGZKMVBFHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N3O3/c1-27-13-7-12(8-14(9-13)28-2)10-23-17(26)11-25-16-6-4-3-5-15(16)18(24-25)19(20,21)22/h7-9H,3-6,10-11H2,1-2H3,(H,23,26).
What are the key properties of N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 397.40 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethoxyphenyl)methyl]-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 58267301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).