N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C19H19F3N4O — CID 58267645

IUPACN-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1c[nH]c2ccccc12
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)18-14-6-2-4-8-16(14)26(25-18)11-17(27)24-10-12-9-23-15-7-3-1-5-13(12)15/h1,3,5,7,9,23H,2,4,6,8,10-11H2,(H,24,27)
InChIKeyDCDWDLDIKWURGJ-UHFFFAOYSA-N
MW376.38 g/mol
LogP3.58
Rot. Bonds4

About N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 58267645) has the molecular formula C19H19F3N4O and a molecular weight of 376.38 g/mol. Its IUPAC name is N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID58267645
Molecular FormulaC19H19F3N4O
Molecular Weight376.38 g/mol
Exact Mass376.15
IUPAC NameN-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1c[nH]c2ccccc12
InChIInChI=1S/C19H19F3N4O/c20-19(21,22)18-14-6-2-4-8-16(14)26(25-18)11-17(27)24-10-12-9-23-15-7-3-1-5-13(12)15/h1,3,5,7,9,23H,2,4,6,8,10-11H2,(H,24,27)
InChIKeyDCDWDLDIKWURGJ-UHFFFAOYSA-N
XLogP3.58
TPSA62.71 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze N-(1H-indol-3-ylmethyl)-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-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 58267645) is N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1c[nH]c2ccccc12.
What is the InChIKey of N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is DCDWDLDIKWURGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19F3N4O/c20-19(21,22)18-14-6-2-4-8-16(14)26(25-18)11-17(27)24-10-12-9-23-15-7-3-1-5-13(12)15/h1,3,5,7,9,23H,2,4,6,8,10-11H2,(H,24,27).
What are the key properties of N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 376.38 g/mol, XLogP of 3.58, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1H-indol-3-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 58267645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).