(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol

C12H13BrN2O2 — CID 112749020

IUPAC(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cnn(C)c2)c(Br)c1
InChIInChI=1S/C12H13BrN2O2/c1-15-7-8(6-14-15)12(16)10-4-3-9(17-2)5-11(10)13/h3-7,12,16H,1-2H3
InChIKeyMIAVGFFEWBYQTH-UHFFFAOYSA-N
MW297.15 g/mol
LogP2.27
Rot. Bonds3

About (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol

(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol (PubChem CID 112749020) has the molecular formula C12H13BrN2O2 and a molecular weight of 297.15 g/mol. Its IUPAC name is (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol.

Molecular Properties

Compound Name(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
PubChem CID112749020
Molecular FormulaC12H13BrN2O2
Molecular Weight297.15 g/mol
Exact Mass296.02
IUPAC Name(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol
SMILESCOc1ccc(C(O)c2cnn(C)c2)c(Br)c1
InChIInChI=1S/C12H13BrN2O2/c1-15-7-8(6-14-15)12(16)10-4-3-9(17-2)5-11(10)13/h3-7,12,16H,1-2H3
InChIKeyMIAVGFFEWBYQTH-UHFFFAOYSA-N
XLogP2.27
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2,4-dibromophenyl)-(1-methylpyrazol-4-yl)methanol
CID 107947298
(4-methoxythiophen-2-yl)-(1-methylpyrazol-4-yl)methanol
CID 114981729
(3-bromo-2-chlorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 114981782
N-[(2-fluoro-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 81304751
(6-methoxy-3-pyridinyl)-(1-methylpyrazol-4-yl)methanol
CID 114937913
1-(2-fluoro-4-methoxyphenyl)-2-(1-methylpyrazol-4-yl)ethanol
CID 81304810
(2-fluorophenyl)-(1-methylpyrazol-4-yl)methanol
CID 61088379
(2-bromo-4-fluorophenyl)-(5-methoxy-3-pyridinyl)methanol
CID 115828878
(2-bromo-4-methoxyphenyl)-(4-methylthiophen-3-yl)methanol
CID 79808837
1-(4-methoxyphenyl)-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 43485945
(2,5-dimethylthiophen-3-yl)-(1-methylpyrazol-4-yl)methanol
CID 63901158
(R)-(2-bromo-5-methoxyphenyl)-phenylmethanol
CID 124575991

Frequently Asked Questions

What is the IUPAC name of (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The IUPAC name of (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol (CID 112749020) is (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol.
What is the SMILES notation for (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The canonical SMILES for (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol is COc1ccc(C(O)c2cnn(C)c2)c(Br)c1.
What is the InChIKey of (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
The InChIKey is MIAVGFFEWBYQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O2/c1-15-7-8(6-14-15)12(16)10-4-3-9(17-2)5-11(10)13/h3-7,12,16H,1-2H3.
What are the key properties of (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol?
(2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol has a molecular weight of 297.15 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-bromo-4-methoxyphenyl)-(1-methylpyrazol-4-yl)methanol is sourced from PubChem (CID 112749020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).