N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

C18H19F3N4OS — CID 1129725

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C#N
InChIInChI=1S/C18H19F3N4OS/c1-3-11-10(2)27-17(13(11)8-22)23-15(26)9-25-14-7-5-4-6-12(14)16(24-25)18(19,20)21/h3-7,9H2,1-2H3,(H,23,26)
InChIKeyMHMRCQPNANOZCN-UHFFFAOYSA-N
MW396.44 g/mol
LogP4.22
Rot. Bonds4

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (PubChem CID 1129725) has the molecular formula C18H19F3N4OS and a molecular weight of 396.44 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
PubChem CID1129725
Molecular FormulaC18H19F3N4OS
Molecular Weight396.44 g/mol
Exact Mass396.12
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide
SMILESCCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C#N
InChIInChI=1S/C18H19F3N4OS/c1-3-11-10(2)27-17(13(11)8-22)23-15(26)9-25-14-7-5-4-6-12(14)16(24-25)18(19,20)21/h3-7,9H2,1-2H3,(H,23,26)
InChIKeyMHMRCQPNANOZCN-UHFFFAOYSA-N
XLogP4.22
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-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-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide (CID 1129725) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is CCc1c(C)sc(NC(=O)Cn2nc(C(F)(F)F)c3c2CCCC3)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
The InChIKey is MHMRCQPNANOZCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N4OS/c1-3-11-10(2)27-17(13(11)8-22)23-15(26)9-25-14-7-5-4-6-12(14)16(24-25)18(19,20)21/h3-7,9H2,1-2H3,(H,23,26).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide has a molecular weight of 396.44 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-2-[3-(trifluoromethyl)-4,5,6,7-tetrahydroindazol-1-yl]acetamide is sourced from PubChem (CID 1129725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).