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

C15H16F3N3OS — CID 2056736

IUPACN-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1cccs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)14-11-5-1-2-6-12(11)21(20-14)9-13(22)19-8-10-4-3-7-23-10/h3-4,7H,1-2,5-6,8-9H2,(H,19,22)
InChIKeyJZBQRVBQGHPLOU-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.16
Rot. Bonds4

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

N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 2056736) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID2056736
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESO=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1cccs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)14-11-5-1-2-6-12(11)21(20-14)9-13(22)19-8-10-4-3-7-23-10/h3-4,7H,1-2,5-6,8-9H2,(H,19,22)
InChIKeyJZBQRVBQGHPLOU-UHFFFAOYSA-N
XLogP3.16
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.37
LogP ≤ 53.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(thiophen-2-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-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 2056736) is N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is O=C(Cn1nc(C(F)(F)F)c2c1CCCC2)NCc1cccs1.
What is the InChIKey of N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is JZBQRVBQGHPLOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)14-11-5-1-2-6-12(11)21(20-14)9-13(22)19-8-10-4-3-7-23-10/h3-4,7H,1-2,5-6,8-9H2,(H,19,22).
What are the key properties of N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 343.37 g/mol, XLogP of 3.16, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(thiophen-2-ylmethyl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 2056736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).