1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol

C14H17BrN2O — CID 114635561

IUPAC1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
SMILESCC(C)n1ncc(Br)c1C(O)Cc1ccccc1
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-14(12(15)9-16-17)13(18)8-11-6-4-3-5-7-11/h3-7,9-10,13,18H,8H2,1-2H3
InChIKeyOGXXTLFTNIAZDO-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.50
Rot. Bonds4

About 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol (PubChem CID 114635561) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
PubChem CID114635561
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
SMILESCC(C)n1ncc(Br)c1C(O)Cc1ccccc1
InChIInChI=1S/C14H17BrN2O/c1-10(2)17-14(12(15)9-16-17)13(18)8-11-6-4-3-5-7-11/h3-7,9-10,13,18H,8H2,1-2H3
InChIKeyOGXXTLFTNIAZDO-UHFFFAOYSA-N
XLogP3.50
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.21
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propan-2-ylpyrazol-5-yl)pentan-1-ol
CID 114635608
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-(4-methylphenyl)propan-1-ol
CID 105128368
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)hexan-1-ol
CID 114635708
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-chloro-6-fluorophenyl)ethanol
CID 114643528
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-cyclopentylethanol
CID 115835453
(4-bromo-1-propan-2-ylpyrazol-5-yl)-(2,6-dimethylphenyl)methanol
CID 114637867
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-3-methylbutane-1,2-diol
CID 103456487
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2,3-dimethylbutan-1-ol
CID 115835347
(4-bromo-1-propan-2-ylpyrazol-5-yl)-[4-(methoxymethyl)phenyl]methanol
CID 114636389
2-(4-bromo-1-propan-2-ylpyrazol-5-yl)-1-phenylbutan-2-ol
CID 114636350
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(4-chlorophenyl)-N-methylethanamine
CID 114647352
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105042151

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol?
The IUPAC name of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol (CID 114635561) is 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol.
What is the SMILES notation for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol?
The canonical SMILES for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol is CC(C)n1ncc(Br)c1C(O)Cc1ccccc1.
What is the InChIKey of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol?
The InChIKey is OGXXTLFTNIAZDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10(2)17-14(12(15)9-16-17)13(18)8-11-6-4-3-5-7-11/h3-7,9-10,13,18H,8H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol?
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol has a molecular weight of 309.21 g/mol, XLogP of 3.50, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol is sourced from PubChem (CID 114635561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).