N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

C14H16F3N3O3 — CID 110888405

IUPACN-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCc1cc(NC(=O)CC(O)(c2ccc(C)o2)C(F)(F)F)n(C)n1
InChIInChI=1S/C14H16F3N3O3/c1-8-6-11(20(3)19-8)18-12(21)7-13(22,14(15,16)17)10-5-4-9(2)23-10/h4-6,22H,7H2,1-3H3,(H,18,21)
InChIKeyKZGPHCLHZOEWQT-UHFFFAOYSA-N
MW331.29 g/mol
LogP2.41
Rot. Bonds4

About N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide

N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (PubChem CID 110888405) has the molecular formula C14H16F3N3O3 and a molecular weight of 331.29 g/mol. Its IUPAC name is N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.

Molecular Properties

Compound NameN-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
PubChem CID110888405
Molecular FormulaC14H16F3N3O3
Molecular Weight331.29 g/mol
Exact Mass331.11
IUPAC NameN-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide
SMILESCc1cc(NC(=O)CC(O)(c2ccc(C)o2)C(F)(F)F)n(C)n1
InChIInChI=1S/C14H16F3N3O3/c1-8-6-11(20(3)19-8)18-12(21)7-13(22,14(15,16)17)10-5-4-9(2)23-10/h4-6,22H,7H2,1-3H3,(H,18,21)
InChIKeyKZGPHCLHZOEWQT-UHFFFAOYSA-N
XLogP2.41
TPSA80.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.29
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The IUPAC name of N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide (CID 110888405) is N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide.
What is the SMILES notation for N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The canonical SMILES for N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is Cc1cc(NC(=O)CC(O)(c2ccc(C)o2)C(F)(F)F)n(C)n1.
What is the InChIKey of N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
The InChIKey is KZGPHCLHZOEWQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16F3N3O3/c1-8-6-11(20(3)19-8)18-12(21)7-13(22,14(15,16)17)10-5-4-9(2)23-10/h4-6,22H,7H2,1-3H3,(H,18,21).
What are the key properties of N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide?
N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide has a molecular weight of 331.29 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dimethylpyrazol-3-yl)-4,4,4-trifluoro-3-hydroxy-3-(5-methylfuran-2-yl)butanamide is sourced from PubChem (CID 110888405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).