(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol

C11H10BrClN2O — CID 115799091

IUPAC(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H10BrClN2O/c1-15-9(5-6-14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3
InChIKeyQUYIFTGUQYXJOH-UHFFFAOYSA-N
MW301.57 g/mol
LogP2.92
Rot. Bonds2

About (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol

(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol (PubChem CID 115799091) has the molecular formula C11H10BrClN2O and a molecular weight of 301.57 g/mol. Its IUPAC name is (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol.

Molecular Properties

Compound Name(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
PubChem CID115799091
Molecular FormulaC11H10BrClN2O
Molecular Weight301.57 g/mol
Exact Mass299.97
IUPAC Name(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
SMILESCn1nccc1C(O)c1cccc(Br)c1Cl
InChIInChI=1S/C11H10BrClN2O/c1-15-9(5-6-14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3
InChIKeyQUYIFTGUQYXJOH-UHFFFAOYSA-N
XLogP2.92
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.57
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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(3-bromo-2-chlorophenyl)-(2,3-dimethylimidazol-4-yl)methanol
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(2-fluoro-3-methoxyphenyl)-(2-methylpyrazol-3-yl)methanol
CID 114554105
(4-chlorophenyl)-(2-methylpyrazol-3-yl)methanol
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(3-bromofuran-2-yl)-(2-methylpyrazol-3-yl)methanol
CID 114554058
(3-bromo-2-chlorophenyl)-(4-chloro-1-propylpyrazol-5-yl)methanol
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(2-methoxy-3-pyridinyl)-(2-methylpyrazol-3-yl)methanol
CID 105098313
1-(2-bromophenyl)-N-[1-(2-methylpyrazol-3-yl)ethyl]ethanamine
CID 106757140
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Frequently Asked Questions

What is the IUPAC name of (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol?
The IUPAC name of (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol (CID 115799091) is (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol.
What is the SMILES notation for (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol?
The canonical SMILES for (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol is Cn1nccc1C(O)c1cccc(Br)c1Cl.
What is the InChIKey of (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol?
The InChIKey is QUYIFTGUQYXJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10BrClN2O/c1-15-9(5-6-14-15)11(16)7-3-2-4-8(12)10(7)13/h2-6,11,16H,1H3.
What are the key properties of (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol?
(3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol has a molecular weight of 301.57 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3-bromo-2-chlorophenyl)-(2-methylpyrazol-3-yl)methanol is sourced from PubChem (CID 115799091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).