(2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol

C12H12BrFN2O — CID 71226070

IUPAC(2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1cnn(C)c1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C12H12BrFN2O/c1-7-6-15-16(2)11(7)12(17)9-5-8(14)3-4-10(9)13/h3-6,12,17H,1-2H3
InChIKeyFVWLJTAZZJWIKG-UHFFFAOYSA-N
MW299.14 g/mol
LogP2.71
Rot. Bonds2

About (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol

(2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol (PubChem CID 71226070) has the molecular formula C12H12BrFN2O and a molecular weight of 299.14 g/mol. Its IUPAC name is (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol.

Molecular Properties

Compound Name(2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol
PubChem CID71226070
Molecular FormulaC12H12BrFN2O
Molecular Weight299.14 g/mol
Exact Mass298.01
IUPAC Name(2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol
SMILESCc1cnn(C)c1C(O)c1cc(F)ccc1Br
InChIInChI=1S/C12H12BrFN2O/c1-7-6-15-16(2)11(7)12(17)9-5-8(14)3-4-10(9)13/h3-6,12,17H,1-2H3
InChIKeyFVWLJTAZZJWIKG-UHFFFAOYSA-N
XLogP2.71
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.14
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The IUPAC name of (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol (CID 71226070) is (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol.
What is the SMILES notation for (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The canonical SMILES for (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol is Cc1cnn(C)c1C(O)c1cc(F)ccc1Br.
What is the InChIKey of (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
The InChIKey is FVWLJTAZZJWIKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BrFN2O/c1-7-6-15-16(2)11(7)12(17)9-5-8(14)3-4-10(9)13/h3-6,12,17H,1-2H3.
What are the key properties of (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol?
(2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol has a molecular weight of 299.14 g/mol, XLogP of 2.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-5-fluorophenyl)-(1,4-dimethylpyrazol-5-yl)methanol is sourced from PubChem (CID 71226070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).