N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

C14H13F3N4OS — CID 4766672

IUPACN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C#N
InChIInChI=1S/C14H13F3N4OS/c1-4-8-7(2)23-13(9(8)6-18)19-12(22)10-5-11(14(15,16)17)20-21(10)3/h5H,4H2,1-3H3,(H,19,22)
InChIKeyIKRGVCLRXFUIJO-UHFFFAOYSA-N
MW342.35 g/mol
LogP3.50
Rot. Bonds3

About N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide

N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (PubChem CID 4766672) has the molecular formula C14H13F3N4OS and a molecular weight of 342.35 g/mol. Its IUPAC name is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
PubChem CID4766672
Molecular FormulaC14H13F3N4OS
Molecular Weight342.35 g/mol
Exact Mass342.08
IUPAC NameN-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide
SMILESCCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C#N
InChIInChI=1S/C14H13F3N4OS/c1-4-8-7(2)23-13(9(8)6-18)19-12(22)10-5-11(14(15,16)17)20-21(10)3/h5H,4H2,1-3H3,(H,19,22)
InChIKeyIKRGVCLRXFUIJO-UHFFFAOYSA-N
XLogP3.50
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.35
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide 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)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The IUPAC name of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide (CID 4766672) is N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide.
What is the SMILES notation for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The canonical SMILES for N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is CCc1c(C)sc(NC(=O)c2cc(C(F)(F)F)nn2C)c1C#N.
What is the InChIKey of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
The InChIKey is IKRGVCLRXFUIJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13F3N4OS/c1-4-8-7(2)23-13(9(8)6-18)19-12(22)10-5-11(14(15,16)17)20-21(10)3/h5H,4H2,1-3H3,(H,19,22).
What are the key properties of N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide?
N-(3-cyano-4-ethyl-5-methylthiophen-2-yl)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide has a molecular weight of 342.35 g/mol, XLogP of 3.50, 3 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)-1-methyl-3-(trifluoromethyl)pyrazole-5-carboxamide is sourced from PubChem (CID 4766672), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).