1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol

C14H17BrN2O — CID 63975243

IUPAC1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(C)(O)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-3-9-17-13(7-8-16-17)14(2,18)11-5-4-6-12(15)10-11/h4-8,10,18H,3,9H2,1-2H3
InChIKeyRUXKINHEOJDQHY-UHFFFAOYSA-N
MW309.21 g/mol
LogP3.31
Rot. Bonds4

About 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol

1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol (PubChem CID 63975243) has the molecular formula C14H17BrN2O and a molecular weight of 309.21 g/mol. Its IUPAC name is 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol.

Molecular Properties

Compound Name1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
PubChem CID63975243
Molecular FormulaC14H17BrN2O
Molecular Weight309.21 g/mol
Exact Mass308.05
IUPAC Name1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
SMILESCCCn1nccc1C(C)(O)c1cccc(Br)c1
InChIInChI=1S/C14H17BrN2O/c1-3-9-17-13(7-8-16-17)14(2,18)11-5-4-6-12(15)10-11/h4-8,10,18H,3,9H2,1-2H3
InChIKeyRUXKINHEOJDQHY-UHFFFAOYSA-N
XLogP3.31
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 ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(3-bromophenyl)-1-(2-methylpyrazol-3-yl)ethanol
CID 63962622
3-[1-hydroxy-1-(2-propylpyrazol-3-yl)ethyl]benzonitrile
CID 115481322
1-(5-fluoro-3-pyridinyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 114080715
1-(2-chlorophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975033
1-(3-bromophenyl)-1-(3-methyltriazol-4-yl)ethanol
CID 114684581
2-methoxy-1-phenyl-1-(2-propylpyrazol-3-yl)ethanol
CID 103465225
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(3-bromophenyl)-1-(4-propylphenyl)ethanol
CID 63406796
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
4-(2-propylpyrazol-3-yl)heptan-4-ol
CID 114865852
2-(3-bromophenyl)propan-2-ol;ethanol
CID 144557078
1-(3-bromophenyl)-1-pyridin-2-ylethanol
CID 163303407

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The IUPAC name of 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol (CID 63975243) is 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol.
What is the SMILES notation for 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The canonical SMILES for 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol is CCCn1nccc1C(C)(O)c1cccc(Br)c1.
What is the InChIKey of 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
The InChIKey is RUXKINHEOJDQHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN2O/c1-3-9-17-13(7-8-16-17)14(2,18)11-5-4-6-12(15)10-11/h4-8,10,18H,3,9H2,1-2H3.
What are the key properties of 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol?
1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol has a molecular weight of 309.21 g/mol, XLogP of 3.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol is sourced from PubChem (CID 63975243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).