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

C15H16F3N3OS — CID 72718561

IUPACN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-10-4-1-2-5-11(10)21(20-13)8-7-19-14(22)12-6-3-9-23-12/h3,6,9H,1-2,4-5,7-8H2,(H,19,22)
InChIKeyMXGXDGDJBAYOHH-UHFFFAOYSA-N
MW343.37 g/mol
LogP3.27
Rot. Bonds4

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

N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide (PubChem CID 72718561) has the molecular formula C15H16F3N3OS and a molecular weight of 343.37 g/mol. Its IUPAC name is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide
PubChem CID72718561
Molecular FormulaC15H16F3N3OS
Molecular Weight343.37 g/mol
Exact Mass343.10
IUPAC NameN-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide
SMILESO=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1
InChIInChI=1S/C15H16F3N3OS/c16-15(17,18)13-10-4-1-2-5-11(10)21(20-13)8-7-19-14(22)12-6-3-9-23-12/h3,6,9H,1-2,4-5,7-8H2,(H,19,22)
InChIKeyMXGXDGDJBAYOHH-UHFFFAOYSA-N
XLogP3.27
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 ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Related Compounds

Pyrazole scaffold, 7d
CID 24893962
Pyrazole scaffold, 7b
CID 25218474
Pyrazole scaffold, 7c
CID 25218475
(S)-1-(5-((2-aminopropanamido)methyl)thiophen-2-yl)-N-benzyl-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 25218479
N-[1-(2,4-difluorophenyl)-4,5,6,7-tetrahydro-1H-indazol-4-yl]-3-thiophenecarboxamide
CID 45184368
4-Ethyl-5-methyl-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 52945176
4,5-Dimethyl-2-[[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetyl]amino]thiophene-3-carboxamide
CID 52950044
N-(thiophen-2-ylmethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]indazole-3-carboxamide
CID 66857424
2-(4,5,6,7-tetrahydroindazol-2-yl)-N-(thiophen-2-ylmethyl)acetamide
CID 5308543
N-(1-benzyl-3,5-dimethyl-1H-pyrazol-4-yl)-2-thiophenecarboxamide
CID 1225355
N-[(1,5-dimethyl-1H-pyrazol-3-yl)methyl]-4-methyl-5-phenyl-2-thiophenecarboxamide
CID 1244268
2-(2-(3-(Trifluoromethyl)-4,5,6,7-tetrahydroindazole-1-yl)acetamido)thiophene-3-carboxamide
CID 52941502

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide (CID 72718561) is N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide is O=C(NCCn1nc(C(F)(F)F)c2c1CCCC2)c1cccs1.
What is the InChIKey of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide?
The InChIKey is MXGXDGDJBAYOHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3N3OS/c16-15(17,18)13-10-4-1-2-5-11(10)21(20-13)8-7-19-14(22)12-6-3-9-23-12/h3,6,9H,1-2,4-5,7-8H2,(H,19,22).
What are the key properties of N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide?
N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide has a molecular weight of 343.37 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 72718561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).