[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol

C13H13F3N2O — CID 79200265

IUPAC[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H13F3N2O/c1-7(2)13-8(6-19)5-17-18(13)9-3-10(14)12(16)11(15)4-9/h3-5,7,19H,6H2,1-2H3
InChIKeyAAZBJHHPKZYYKE-UHFFFAOYSA-N
MW270.25 g/mol
LogP2.91
Rot. Bonds3

About [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol

[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol (PubChem CID 79200265) has the molecular formula C13H13F3N2O and a molecular weight of 270.25 g/mol. Its IUPAC name is [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
PubChem CID79200265
Molecular FormulaC13H13F3N2O
Molecular Weight270.25 g/mol
Exact Mass270.10
IUPAC Name[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
SMILESCC(C)c1c(CO)cnn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H13F3N2O/c1-7(2)13-8(6-19)5-17-18(13)9-3-10(14)12(16)11(15)4-9/h3-5,7,19H,6H2,1-2H3
InChIKeyAAZBJHHPKZYYKE-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.25
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol (CID 79200265) is [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol is CC(C)c1c(CO)cnn1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is AAZBJHHPKZYYKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N2O/c1-7(2)13-8(6-19)5-17-18(13)9-3-10(14)12(16)11(15)4-9/h3-5,7,19H,6H2,1-2H3.
What are the key properties of [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
[5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 270.25 g/mol, XLogP of 2.91, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-propan-2-yl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 79200265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).