N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide

C20H20F3N3O2 — CID 46087835

IUPACN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide
SMILESCCCCCC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2/c1-2-3-4-7-19(27)24-18-13-16(17-6-5-12-28-17)25-26(18)15-10-8-14(9-11-15)20(21,22)23/h5-6,8-13H,2-4,7H2,1H3,(H,24,27)
InChIKeyCIPFFLCVQAMHGP-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.67
Rot. Bonds7

About N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide

N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide (PubChem CID 46087835) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide
PubChem CID46087835
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC NameN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide
SMILESCCCCCC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C20H20F3N3O2/c1-2-3-4-7-19(27)24-18-13-16(17-6-5-12-28-17)25-26(18)15-10-8-14(9-11-15)20(21,22)23/h5-6,8-13H,2-4,7H2,1H3,(H,24,27)
InChIKeyCIPFFLCVQAMHGP-UHFFFAOYSA-N
XLogP5.67
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.67
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-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide?
The IUPAC name of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide (CID 46087835) is N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide is CCCCCC(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide?
The InChIKey is CIPFFLCVQAMHGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-2-3-4-7-19(27)24-18-13-16(17-6-5-12-28-17)25-26(18)15-10-8-14(9-11-15)20(21,22)23/h5-6,8-13H,2-4,7H2,1H3,(H,24,27).
What are the key properties of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide?
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide has a molecular weight of 391.39 g/mol, XLogP of 5.67, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]hexanamide is sourced from PubChem (CID 46087835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).