1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol

C13H15BrN2O — CID 115828801

IUPAC1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccn(C)n2)cc1Br
InChIInChI=1S/C13H15BrN2O/c1-9-3-4-10(7-12(9)14)13(17)8-11-5-6-16(2)15-11/h3-7,13,17H,8H2,1-2H3
InChIKeyKBKOCALWSKXQFQ-UHFFFAOYSA-N
MW295.18 g/mol
LogP2.77
Rot. Bonds3

About 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol

1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol (PubChem CID 115828801) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
PubChem CID115828801
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
SMILESCc1ccc(C(O)Cc2ccn(C)n2)cc1Br
InChIInChI=1S/C13H15BrN2O/c1-9-3-4-10(7-12(9)14)13(17)8-11-5-6-16(2)15-11/h3-7,13,17H,8H2,1-2H3
InChIKeyKBKOCALWSKXQFQ-UHFFFAOYSA-N
XLogP2.77
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.18
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromo-4-methylphenyl)-2-(1-pentan-3-ylpyrazol-3-yl)ethanol
CID 115808069
1-(5-bromo-4-methylthiophen-2-yl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828712
1-(5-bromo-3-pyridinyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82870137
1-(2,4-dimethylphenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82869812
1-(3-bromo-4-methylphenyl)-2-pyridin-2-ylethanol
CID 81488850
1-(3-fluorophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 82868986
1-(3-iodophenyl)-2-(1-methylpyrazol-3-yl)ethanol
CID 115828653
[1-(4-bromo-3-methylphenyl)-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329446
2-amino-1-(3-bromo-4-methylphenyl)ethanol
CID 82474259
2-amino-1-(3-bromo-4-methylphenyl)ethanol;hydrochloride
CID 178200438
1-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(1-methylpyrazol-3-yl)ethanol
CID 82868688
N-[(3-bromo-4-methylphenyl)-(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 103135450

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol (CID 115828801) is 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol is Cc1ccc(C(O)Cc2ccn(C)n2)cc1Br.
What is the InChIKey of 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
The InChIKey is KBKOCALWSKXQFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-3-4-10(7-12(9)14)13(17)8-11-5-6-16(2)15-11/h3-7,13,17H,8H2,1-2H3.
What are the key properties of 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol?
1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol has a molecular weight of 295.18 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-4-methylphenyl)-2-(1-methylpyrazol-3-yl)ethanol is sourced from PubChem (CID 115828801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).