furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

C13H15F3N2O3 — CID 3147055

IUPACfuran-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCC(C)CC1=NN(C(=O)c2ccco2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O3/c1-8(2)6-9-7-12(20,13(14,15)16)18(17-9)11(19)10-4-3-5-21-10/h3-5,8,20H,6-7H2,1-2H3
InChIKeySKZHRUFSZCGJCQ-UHFFFAOYSA-N
MW304.27 g/mol
LogP2.78
Rot. Bonds3

About furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone

furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (PubChem CID 3147055) has the molecular formula C13H15F3N2O3 and a molecular weight of 304.27 g/mol. Its IUPAC name is furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.

Molecular Properties

Compound Namefuran-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
PubChem CID3147055
Molecular FormulaC13H15F3N2O3
Molecular Weight304.27 g/mol
Exact Mass304.10
IUPAC Namefuran-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone
SMILESCC(C)CC1=NN(C(=O)c2ccco2)C(O)(C(F)(F)F)C1
InChIInChI=1S/C13H15F3N2O3/c1-8(2)6-9-7-12(20,13(14,15)16)18(17-9)11(19)10-4-3-5-21-10/h3-5,8,20H,6-7H2,1-2H3
InChIKeySKZHRUFSZCGJCQ-UHFFFAOYSA-N
XLogP2.78
TPSA66.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.27
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The IUPAC name of furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone (CID 3147055) is furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone.
What is the SMILES notation for furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The canonical SMILES for furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is CC(C)CC1=NN(C(=O)c2ccco2)C(O)(C(F)(F)F)C1.
What is the InChIKey of furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
The InChIKey is SKZHRUFSZCGJCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F3N2O3/c1-8(2)6-9-7-12(20,13(14,15)16)18(17-9)11(19)10-4-3-5-21-10/h3-5,8,20H,6-7H2,1-2H3.
What are the key properties of furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone?
furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone has a molecular weight of 304.27 g/mol, XLogP of 2.78, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for furan-2-yl-[5-hydroxy-3-(2-methylpropyl)-5-(trifluoromethyl)-4H-pyrazol-1-yl]methanone is sourced from PubChem (CID 3147055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).