[1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol

C19H18BrFN2O — CID 143869250

IUPAC[1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(-n2nc(C)c(C(O)c3ccc(F)cc3)c2C)ccc1Br
InChIInChI=1S/C19H18BrFN2O/c1-11-10-16(8-9-17(11)20)23-13(3)18(12(2)22-23)19(24)14-4-6-15(21)7-5-14/h4-10,19,24H,1-3H3
InChIKeyOQMXSPCWXVNHAG-UHFFFAOYSA-N
MW389.27 g/mol
LogP4.78
Rot. Bonds3

About [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol

[1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol (PubChem CID 143869250) has the molecular formula C19H18BrFN2O and a molecular weight of 389.27 g/mol. Its IUPAC name is [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol
PubChem CID143869250
Molecular FormulaC19H18BrFN2O
Molecular Weight389.27 g/mol
Exact Mass388.06
IUPAC Name[1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol
SMILESCc1cc(-n2nc(C)c(C(O)c3ccc(F)cc3)c2C)ccc1Br
InChIInChI=1S/C19H18BrFN2O/c1-11-10-16(8-9-17(11)20)23-13(3)18(12(2)22-23)19(24)14-4-6-15(21)7-5-14/h4-10,19,24H,1-3H3
InChIKeyOQMXSPCWXVNHAG-UHFFFAOYSA-N
XLogP4.78
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.27
LogP ≤ 54.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol (CID 143869250) is [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol is Cc1cc(-n2nc(C)c(C(O)c3ccc(F)cc3)c2C)ccc1Br.
What is the InChIKey of [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol?
The InChIKey is OQMXSPCWXVNHAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18BrFN2O/c1-11-10-16(8-9-17(11)20)23-13(3)18(12(2)22-23)19(24)14-4-6-15(21)7-5-14/h4-10,19,24H,1-3H3.
What are the key properties of [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol?
[1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol has a molecular weight of 389.27 g/mol, XLogP of 4.78, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-bromo-3-methylphenyl)-3,5-dimethylpyrazol-4-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 143869250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).