[2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol

C17H12F4N2O — CID 2274914

IUPAC[2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol
SMILESCc1cc(-c2ccccc2)n(-c2c(F)c(F)c(CO)c(F)c2F)n1
InChIInChI=1S/C17H12F4N2O/c1-9-7-12(10-5-3-2-4-6-10)23(22-9)17-15(20)13(18)11(8-24)14(19)16(17)21/h2-7,24H,8H2,1H3
InChIKeyYAGJAKSEGCQDQB-UHFFFAOYSA-N
MW336.29 g/mol
LogP3.90
Rot. Bonds3

About [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol

[2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol (PubChem CID 2274914) has the molecular formula C17H12F4N2O and a molecular weight of 336.29 g/mol. Its IUPAC name is [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol.

Molecular Properties

Compound Name[2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol
PubChem CID2274914
Molecular FormulaC17H12F4N2O
Molecular Weight336.29 g/mol
Exact Mass336.09
IUPAC Name[2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol
SMILESCc1cc(-c2ccccc2)n(-c2c(F)c(F)c(CO)c(F)c2F)n1
InChIInChI=1S/C17H12F4N2O/c1-9-7-12(10-5-3-2-4-6-10)23(22-9)17-15(20)13(18)11(8-24)14(19)16(17)21/h2-7,24H,8H2,1H3
InChIKeyYAGJAKSEGCQDQB-UHFFFAOYSA-N
XLogP3.90
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.29
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol?
The IUPAC name of [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol (CID 2274914) is [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol.
What is the SMILES notation for [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol?
The canonical SMILES for [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol is Cc1cc(-c2ccccc2)n(-c2c(F)c(F)c(CO)c(F)c2F)n1.
What is the InChIKey of [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol?
The InChIKey is YAGJAKSEGCQDQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N2O/c1-9-7-12(10-5-3-2-4-6-10)23(22-9)17-15(20)13(18)11(8-24)14(19)16(17)21/h2-7,24H,8H2,1H3.
What are the key properties of [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol?
[2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol has a molecular weight of 336.29 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2,3,5,6-tetrafluoro-4-(3-methyl-5-phenylpyrazol-1-yl)phenyl]methanol is sourced from PubChem (CID 2274914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).