2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol

C13H15BrN2O — CID 2950529

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol
SMILESCc1nn(CC(O)c2ccccc2)c(C)c1Br
InChIInChI=1S/C13H15BrN2O/c1-9-13(14)10(2)16(15-9)8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3
InChIKeyDPYFTYOPWZKDGY-UHFFFAOYSA-N
MW295.18 g/mol
LogP3.00
Rot. Bonds3

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol (PubChem CID 2950529) has the molecular formula C13H15BrN2O and a molecular weight of 295.18 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol
PubChem CID2950529
Molecular FormulaC13H15BrN2O
Molecular Weight295.18 g/mol
Exact Mass294.04
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol
SMILESCc1nn(CC(O)c2ccccc2)c(C)c1Br
InChIInChI=1S/C13H15BrN2O/c1-9-13(14)10(2)16(15-9)8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3
InChIKeyDPYFTYOPWZKDGY-UHFFFAOYSA-N
XLogP3.00
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 ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2,5-Difluorophenyl)-2-[3-(3,5-dimethylpyrazol-1-yl)azetidin-1-yl]ethanol
CID 56781795
2-(3,5-Dimethyl-1H-pyrazol-1-yl)-1-(4-methylphenyl)ethan-1-ol
CID 3511640
2-[3-(3,5-Dimethyl-1-pyrazolyl)propylamino]-1-phenylethanol;oxalic acid
CID 2999795
4-((2-Bromophenyl)azo)-alpha,5-diphenyl-3-methyl-1H-pyrazole-1-ethanol
CID 207802
4-((2-Bromophenyl)azo)-alpha,5-diphenyl-3-methyl-1H-pyrazole-1-ethanol
CID 207802
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
1-(3,5-Dimethyl-1H-pyrazol-1-yl)-2-phenylpropan-2-ol
CID 3259972
3-[(1,5-Dimethylpyrazol-3-yl)methyl-methylamino]-1-phenylpropan-1-ol
CID 45250350
2-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
CID 50908372
2-[5-(Hydroxymethyl)-3-phenylpyrazol-1-yl]-1-phenylethanol
CID 50908372
1-(1-methyl-3-phenyl-1H-pyrazol-5-yl)ethane-1,2-diol
CID 155540342

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol (CID 2950529) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol is Cc1nn(CC(O)c2ccccc2)c(C)c1Br.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol?
The InChIKey is DPYFTYOPWZKDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O/c1-9-13(14)10(2)16(15-9)8-12(17)11-6-4-3-5-7-11/h3-7,12,17H,8H2,1-2H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol has a molecular weight of 295.18 g/mol, XLogP of 3.00, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 2950529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).