1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol

C12H13BrClN3O — CID 113398314

IUPAC1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
SMILESCc1nn(C)c(CC(O)c2ncccc2Br)c1Cl
InChIInChI=1S/C12H13BrClN3O/c1-7-11(14)9(17(2)16-7)6-10(18)12-8(13)4-3-5-15-12/h3-5,10,18H,6H2,1-2H3
InChIKeyFYAHZWZCBJDXGZ-UHFFFAOYSA-N
MW330.61 g/mol
LogP2.82
Rot. Bonds3

About 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol

1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol (PubChem CID 113398314) has the molecular formula C12H13BrClN3O and a molecular weight of 330.61 g/mol. Its IUPAC name is 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
PubChem CID113398314
Molecular FormulaC12H13BrClN3O
Molecular Weight330.61 g/mol
Exact Mass328.99
IUPAC Name1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol
SMILESCc1nn(C)c(CC(O)c2ncccc2Br)c1Cl
InChIInChI=1S/C12H13BrClN3O/c1-7-11(14)9(17(2)16-7)6-10(18)12-8(13)4-3-5-15-12/h3-5,10,18H,6H2,1-2H3
InChIKeyFYAHZWZCBJDXGZ-UHFFFAOYSA-N
XLogP2.82
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.61
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 113398316
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CID 113398309
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2-(4-bromo-1,3-dimethylpyrazol-5-yl)-1-(2-chloro-3-methylphenyl)ethanol
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1-(2-bromophenyl)sulfanyl-3-(4-chloro-1,3-dimethylpyrazol-5-yl)-N-methylpropan-2-amine
CID 66143107
1-(3-bromo-2-pyridinyl)-2-(3-chloro-4-fluorophenyl)ethanol
CID 103039701
1-(3-bromo-2-pyridinyl)-2-(2,6-difluorophenyl)ethanol
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Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol (CID 113398314) is 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol is Cc1nn(C)c(CC(O)c2ncccc2Br)c1Cl.
What is the InChIKey of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol?
The InChIKey is FYAHZWZCBJDXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrClN3O/c1-7-11(14)9(17(2)16-7)6-10(18)12-8(13)4-3-5-15-12/h3-5,10,18H,6H2,1-2H3.
What are the key properties of 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol?
1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol has a molecular weight of 330.61 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-2-pyridinyl)-2-(4-chloro-1,3-dimethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 113398314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).