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

C24H20F3N3O2 — CID 46087906

IUPACN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H20F3N3O2/c1-2-19(16-7-4-3-5-8-16)23(31)28-22-15-20(21-9-6-14-32-21)29-30(22)18-12-10-17(11-13-18)24(25,26)27/h3-15,19H,2H2,1H3,(H,28,31)
InChIKeyYEPWUYGSGIRLPC-UHFFFAOYSA-N
MW439.44 g/mol
LogP6.28
Rot. Bonds6

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

N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide (PubChem CID 46087906) has the molecular formula C24H20F3N3O2 and a molecular weight of 439.44 g/mol. Its IUPAC name is N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide.

Molecular Properties

Compound NameN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide
PubChem CID46087906
Molecular FormulaC24H20F3N3O2
Molecular Weight439.44 g/mol
Exact Mass439.15
IUPAC NameN-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide
SMILESCCC(C(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1ccccc1
InChIInChI=1S/C24H20F3N3O2/c1-2-19(16-7-4-3-5-8-16)23(31)28-22-15-20(21-9-6-14-32-21)29-30(22)18-12-10-17(11-13-18)24(25,26)27/h3-15,19H,2H2,1H3,(H,28,31)
InChIKeyYEPWUYGSGIRLPC-UHFFFAOYSA-N
XLogP6.28
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.44
LogP ≤ 56.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 162665882
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CID 162677191
CID 162677191
CID 2742777
CID 2742777
CID 1554430
CID 1554430
CID 1527403
CID 1527403
CID 2742771
CID 2742771
CID 12288137
CID 12288137
CID 16769813
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CID 63173008
CID 63173008

Frequently Asked Questions

What is the IUPAC name of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide?
The IUPAC name of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide (CID 46087906) is N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide.
What is the SMILES notation for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide?
The canonical SMILES for N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide is CCC(C(=O)Nc1cc(-c2ccco2)nn1-c1ccc(C(F)(F)F)cc1)c1ccccc1.
What is the InChIKey of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide?
The InChIKey is YEPWUYGSGIRLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20F3N3O2/c1-2-19(16-7-4-3-5-8-16)23(31)28-22-15-20(21-9-6-14-32-21)29-30(22)18-12-10-17(11-13-18)24(25,26)27/h3-15,19H,2H2,1H3,(H,28,31).
What are the key properties of N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide?
N-[3-(furan-2-yl)-1-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]-2-phenylbutanamide has a molecular weight of 439.44 g/mol, XLogP of 6.28, 6 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]-2-phenylbutanamide is sourced from PubChem (CID 46087906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).