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

C14H17BrN2O — CID 109412003

IUPAC2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol
SMILESCC(C)c1c(Br)cnn1CC(O)c1ccccc1
InChIInChI=1S/C14H17BrN2O/c1-10(2)14-12(15)8-16-17(14)9-13(18)11-6-4-3-5-7-11/h3-8,10,13,18H,9H2,1-2H3
InChIKeyLATQHMNAWPPJCY-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.50
Rot. Bonds4

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

2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol (PubChem CID 109412003) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol.

Molecular Properties

Compound Name2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol
PubChem CID109412003
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol
SMILESCC(C)c1c(Br)cnn1CC(O)c1ccccc1
InChIInChI=1S/C14H17BrN2O/c1-10(2)14-12(15)8-16-17(14)9-13(18)11-6-4-3-5-7-11/h3-8,10,13,18H,9H2,1-2H3
InChIKeyLATQHMNAWPPJCY-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

(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-ethylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645963
1-(4-bromo-5-propan-2-ylpyrazol-1-yl)-3-(4-methylpiperidin-1-yl)propan-2-ol
CID 109412002
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
2-[5-methyl-4-(2-phenylethynyl)pyrazol-1-yl]-1-phenylethanol
CID 23267794
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-phenylethanol
CID 114635561
1-(4-bromo-1-propylpyrazol-5-yl)-2-methoxy-2-phenylethanol
CID 114645968
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896
1-(4-bromo-1-propan-2-ylpyrazol-5-yl)-2-(2-fluorophenyl)sulfanylethanol
CID 114644213
1-(4-bromo-1-propylpyrazol-5-yl)pentan-1-ol
CID 114635613
2-(2-hydroxy-2-phenylethyl)-5-pyrrolidin-1-ylpyridazin-3-one
CID 114396351
4-(4-bromo-1-methylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67958093

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol?
The IUPAC name of 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol (CID 109412003) is 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol.
What is the SMILES notation for 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol?
The canonical SMILES for 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol is CC(C)c1c(Br)cnn1CC(O)c1ccccc1.
What is the InChIKey of 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol?
The InChIKey is LATQHMNAWPPJCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-10(2)14-12(15)8-16-17(14)9-13(18)11-6-4-3-5-7-11/h3-8,10,13,18H,9H2,1-2H3.
What are the key properties of 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol?
2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-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 2-(4-bromo-5-propan-2-ylpyrazol-1-yl)-1-phenylethanol is sourced from PubChem (CID 109412003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).