N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide

C17H20F3N3O2 — CID 35290347

IUPACN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c(C)o1
InChIInChI=1S/C17H20F3N3O2/c1-10-8-13(11(2)25-10)16(24)21-6-3-7-23-14(12-4-5-12)9-15(22-23)17(18,19)20/h8-9,12H,3-7H2,1-2H3,(H,21,24)
InChIKeyQQTCEZSCTSEJMV-UHFFFAOYSA-N
MW355.36 g/mol
LogP3.81
Rot. Bonds6

About N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide

N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide (PubChem CID 35290347) has the molecular formula C17H20F3N3O2 and a molecular weight of 355.36 g/mol. Its IUPAC name is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide.

Molecular Properties

Compound NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide
PubChem CID35290347
Molecular FormulaC17H20F3N3O2
Molecular Weight355.36 g/mol
Exact Mass355.15
IUPAC NameN-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide
SMILESCc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c(C)o1
InChIInChI=1S/C17H20F3N3O2/c1-10-8-13(11(2)25-10)16(24)21-6-3-7-23-14(12-4-5-12)9-15(22-23)17(18,19)20/h8-9,12H,3-7H2,1-2H3,(H,21,24)
InChIKeyQQTCEZSCTSEJMV-UHFFFAOYSA-N
XLogP3.81
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.36
LogP ≤ 53.81
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 N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide?
The IUPAC name of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide (CID 35290347) is N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide.
What is the SMILES notation for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide?
The canonical SMILES for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide is Cc1cc(C(=O)NCCCn2nc(C(F)(F)F)cc2C2CC2)c(C)o1.
What is the InChIKey of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide?
The InChIKey is QQTCEZSCTSEJMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F3N3O2/c1-10-8-13(11(2)25-10)16(24)21-6-3-7-23-14(12-4-5-12)9-15(22-23)17(18,19)20/h8-9,12H,3-7H2,1-2H3,(H,21,24).
What are the key properties of N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide?
N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide has a molecular weight of 355.36 g/mol, XLogP of 3.81, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-cyclopropyl-3-(trifluoromethyl)pyrazol-1-yl]propyl]-2,5-dimethylfuran-3-carboxamide is sourced from PubChem (CID 35290347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).