1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol

C15H19BrN2O — CID 114633389

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1cccc(C)c1
InChIInChI=1S/C15H19BrN2O/c1-4-8-18-14(13(16)10-17-18)15(3,19)12-7-5-6-11(2)9-12/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeySCEAZPSYOMNBSE-UHFFFAOYSA-N
MW323.23 g/mol
LogP3.62
Rot. Bonds4

About 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol (PubChem CID 114633389) has the molecular formula C15H19BrN2O and a molecular weight of 323.23 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
PubChem CID114633389
Molecular FormulaC15H19BrN2O
Molecular Weight323.23 g/mol
Exact Mass322.07
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1cccc(C)c1
InChIInChI=1S/C15H19BrN2O/c1-4-8-18-14(13(16)10-17-18)15(3,19)12-7-5-6-11(2)9-12/h5-7,9-10,19H,4,8H2,1-3H3
InChIKeySCEAZPSYOMNBSE-UHFFFAOYSA-N
XLogP3.62
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.23
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
CID 114633444
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-methoxyphenyl)ethanol
CID 114633518
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(4-methylphenyl)ethanol
CID 114633334
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
CID 114794969
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(2,5-dimethylphenyl)ethanol
CID 114633798
1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol (CID 114633389) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol is CCCn1ncc(Br)c1C(C)(O)c1cccc(C)c1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
The InChIKey is SCEAZPSYOMNBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19BrN2O/c1-4-8-18-14(13(16)10-17-18)15(3,19)12-7-5-6-11(2)9-12/h5-7,9-10,19H,4,8H2,1-3H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol has a molecular weight of 323.23 g/mol, XLogP of 3.62, 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-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol is sourced from PubChem (CID 114633389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).