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

C15H18F3N3O2 — CID 35290079

IUPAC2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C)c(C)o1
InChIInChI=1S/C15H18F3N3O2/c1-9-7-13(15(16,17)18)20-21(9)6-4-5-19-14(22)12-8-10(2)23-11(12)3/h7-8H,4-6H2,1-3H3,(H,19,22)
InChIKeyQUDDXLVKHRYOCS-UHFFFAOYSA-N
MW329.32 g/mol
LogP3.24
Rot. Bonds5

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

2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide (PubChem CID 35290079) has the molecular formula C15H18F3N3O2 and a molecular weight of 329.32 g/mol. Its IUPAC name is 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide.

Molecular Properties

Compound Name2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide
PubChem CID35290079
Molecular FormulaC15H18F3N3O2
Molecular Weight329.32 g/mol
Exact Mass329.14
IUPAC Name2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C)c(C)o1
InChIInChI=1S/C15H18F3N3O2/c1-9-7-13(15(16,17)18)20-21(9)6-4-5-19-14(22)12-8-10(2)23-11(12)3/h7-8H,4-6H2,1-3H3,(H,19,22)
InChIKeyQUDDXLVKHRYOCS-UHFFFAOYSA-N
XLogP3.24
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.32
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide?
The IUPAC name of 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide (CID 35290079) is 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide.
What is the SMILES notation for 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide?
The canonical SMILES for 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide is Cc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C)c(C)o1.
What is the InChIKey of 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide?
The InChIKey is QUDDXLVKHRYOCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F3N3O2/c1-9-7-13(15(16,17)18)20-21(9)6-4-5-19-14(22)12-8-10(2)23-11(12)3/h7-8H,4-6H2,1-3H3,(H,19,22).
What are the key properties of 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide?
2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide has a molecular weight of 329.32 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-N-[3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]furan-3-carboxamide is sourced from PubChem (CID 35290079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).