2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide

C13H14F3N3O2 — CID 71808005

IUPAC2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(C)o1
InChIInChI=1S/C13H14F3N3O2/c1-8-7-10(9(2)21-8)12(20)17-4-6-19-5-3-11(18-19)13(14,15)16/h3,5,7H,4,6H2,1-2H3,(H,17,20)
InChIKeyZXYNKQSNTLOSDN-UHFFFAOYSA-N
MW301.27 g/mol
LogP2.54
Rot. Bonds4

About 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide

2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide (PubChem CID 71808005) has the molecular formula C13H14F3N3O2 and a molecular weight of 301.27 g/mol. Its IUPAC name is 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide
PubChem CID71808005
Molecular FormulaC13H14F3N3O2
Molecular Weight301.27 g/mol
Exact Mass301.10
IUPAC Name2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(C)o1
InChIInChI=1S/C13H14F3N3O2/c1-8-7-10(9(2)21-8)12(20)17-4-6-19-5-3-11(18-19)13(14,15)16/h3,5,7H,4,6H2,1-2H3,(H,17,20)
InChIKeyZXYNKQSNTLOSDN-UHFFFAOYSA-N
XLogP2.54
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.27
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-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 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide (CID 71808005) is 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide is Cc1cc(C(=O)NCCn2ccc(C(F)(F)F)n2)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide?
The InChIKey is ZXYNKQSNTLOSDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14F3N3O2/c1-8-7-10(9(2)21-8)12(20)17-4-6-19-5-3-11(18-19)13(14,15)16/h3,5,7H,4,6H2,1-2H3,(H,17,20).
What are the key properties of 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide?
2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide has a molecular weight of 301.27 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[2-[3-(trifluoromethyl)pyrazol-1-yl]ethyl]furan-3-carboxamide is sourced from PubChem (CID 71808005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).