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

C12H11F3N2O — CID 79200351

IUPAC[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
SMILESCCc1c(CO)cnn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2O/c1-2-11-7(6-18)5-16-17(11)8-3-9(13)12(15)10(14)4-8/h3-5,18H,2,6H2,1H3
InChIKeyHGWORUNASWRMRO-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.34
Rot. Bonds3

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

[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol (PubChem CID 79200351) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol.

Molecular Properties

Compound Name[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
PubChem CID79200351
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol
SMILESCCc1c(CO)cnn1-c1cc(F)c(F)c(F)c1
InChIInChI=1S/C12H11F3N2O/c1-2-11-7(6-18)5-16-17(11)8-3-9(13)12(15)10(14)4-8/h3-5,18H,2,6H2,1H3
InChIKeyHGWORUNASWRMRO-UHFFFAOYSA-N
XLogP2.34
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.34
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-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
The IUPAC name of [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol (CID 79200351) is [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol.
What is the SMILES notation for [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
The canonical SMILES for [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol is CCc1c(CO)cnn1-c1cc(F)c(F)c(F)c1.
What is the InChIKey of [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
The InChIKey is HGWORUNASWRMRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c1-2-11-7(6-18)5-16-17(11)8-3-9(13)12(15)10(14)4-8/h3-5,18H,2,6H2,1H3.
What are the key properties of [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol?
[5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol has a molecular weight of 256.23 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-ethyl-1-(3,4,5-trifluorophenyl)pyrazol-4-yl]methanol is sourced from PubChem (CID 79200351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).