[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol

C12H10F4N2O — CID 766316

IUPAC[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESCc1cc(C)n(-c2c(F)c(F)c(CO)c(F)c2F)n1
InChIInChI=1S/C12H10F4N2O/c1-5-3-6(2)18(17-5)12-10(15)8(13)7(4-19)9(14)11(12)16/h3,19H,4H2,1-2H3
InChIKeyYIIVZXRADXADDE-UHFFFAOYSA-N
MW274.22 g/mol
LogP2.54
Rot. Bonds2

About [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol

[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol (PubChem CID 766316) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol.

Molecular Properties

Compound Name[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
PubChem CID766316
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC Name[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol
SMILESCc1cc(C)n(-c2c(F)c(F)c(CO)c(F)c2F)n1
InChIInChI=1S/C12H10F4N2O/c1-5-3-6(2)18(17-5)12-10(15)8(13)7(4-19)9(14)11(12)16/h3,19H,4H2,1-2H3
InChIKeyYIIVZXRADXADDE-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol?
The IUPAC name of [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol (CID 766316) is [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol.
What is the SMILES notation for [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol?
The canonical SMILES for [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol is Cc1cc(C)n(-c2c(F)c(F)c(CO)c(F)c2F)n1.
What is the InChIKey of [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol?
The InChIKey is YIIVZXRADXADDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c1-5-3-6(2)18(17-5)12-10(15)8(13)7(4-19)9(14)11(12)16/h3,19H,4H2,1-2H3.
What are the key properties of [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol?
[4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol has a molecular weight of 274.22 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3,5-dimethylpyrazol-1-yl)-2,3,5,6-tetrafluorophenyl]methanol is sourced from PubChem (CID 766316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).