[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'}

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-(4-Methylphenyl)-1-phenyl-1H-pyrazol-4-YL)methanol
CID 752098
(1-methyl-5-phenyl-1H-pyrazol-4-yl)methanol
CID 2795476
(1-phenyl-1H-pyrazol-4-yl)methanol
CID 822983
(4-(1H-Pyrazol-1-yl)phenyl)methanol
CID 2776480
2-(1-phenyl-1H-pyrazol-5-yl)ethan-1-ol
CID 59410573
5-Methyl-1-phenyl-1H-pyrazole-4-methanol
CID 2776440
[1-(4-Fluorophenyl)-5-Methyl-1H-Pyrazol-4-Yl]Methanol
CID 2780717
(1,3-Diphenyl-1h-pyrazol-4-yl)-methanol
CID 740175
(1-(4-Methylphenyl)-3-phenyl-1H-pyrazol-4-YL)methanol
CID 3859567
2,2,2-trifluoro-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 54978509
(1S)-1-(1-phenyl-1H-pyrazol-4-yl)ethan-1-ol
CID 71756185
[4-(3,5-Dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
CID 766316

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).