5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol

C10H8BrFN2O — CID 117232569

IUPAC5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2cccc(F)c2)c1Br
InChIInChI=1S/C10H8BrFN2O/c11-10-9(15)5-13-14(10)6-7-2-1-3-8(12)4-7/h1-5,15H,6H2
InChIKeySPOHITZQPUFDCX-UHFFFAOYSA-N
MW271.09 g/mol
LogP2.54
Rot. Bonds2

About 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol

5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol (PubChem CID 117232569) has the molecular formula C10H8BrFN2O and a molecular weight of 271.09 g/mol. Its IUPAC name is 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol.

Molecular Properties

Compound Name5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
PubChem CID117232569
Molecular FormulaC10H8BrFN2O
Molecular Weight271.09 g/mol
Exact Mass269.98
IUPAC Name5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol
SMILESOc1cnn(Cc2cccc(F)c2)c1Br
InChIInChI=1S/C10H8BrFN2O/c11-10-9(15)5-13-14(10)6-7-2-1-3-8(12)4-7/h1-5,15H,6H2
InChIKeySPOHITZQPUFDCX-UHFFFAOYSA-N
XLogP2.54
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.09
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-1-[(3-hydroxyphenyl)methyl]pyrazol-4-ol
CID 117232577
2-[5-chloro-1-[(3-fluorophenyl)methyl]pyrazol-4-yl]acetic acid
CID 115068562
[1-[(3-fluorophenyl)methyl]-5-methylpyrazol-4-yl]methanamine
CID 63278587
[1-[(3-fluorophenyl)methyl]-5-propylpyrazol-4-yl]methanol
CID 66439220
4-(chloromethyl)-1-[(3-fluorophenyl)methyl]-5-(trifluoromethyl)pyrazole
CID 66438838
5-bromo-1-(furan-2-ylmethyl)pyrazol-4-ol
CID 117233253
[1-[(3-bromophenyl)methyl]-5-chloropyrazol-4-yl]methanol
CID 115068526
4-bromo-6-chloro-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 132587726
1-[(3-fluorophenyl)methyl]tetrazol-5-amine
CID 79506981
2-[1-[(3-fluorophenyl)methyl]tetrazol-5-yl]acetic acid
CID 84758809
5-bromo-3-[(3-fluorophenyl)methyl]-6-hydroxypyrimidin-4-one
CID 135737352
N-[2-[(4-bromophenyl)methyl]pyrazol-3-yl]-2-(3-fluorophenyl)acetamide
CID 16564232

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol?
The IUPAC name of 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol (CID 117232569) is 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol.
What is the SMILES notation for 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol?
The canonical SMILES for 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol is Oc1cnn(Cc2cccc(F)c2)c1Br.
What is the InChIKey of 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol?
The InChIKey is SPOHITZQPUFDCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrFN2O/c11-10-9(15)5-13-14(10)6-7-2-1-3-8(12)4-7/h1-5,15H,6H2.
What are the key properties of 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol?
5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol has a molecular weight of 271.09 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 5-bromo-1-[(3-fluorophenyl)methyl]pyrazol-4-ol is sourced from PubChem (CID 117232569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).