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

C14H16BrClN2O — CID 114633444

IUPAC1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C14H16BrClN2O/c1-3-7-18-13(12(15)9-17-18)14(2,19)10-5-4-6-11(16)8-10/h4-6,8-9,19H,3,7H2,1-2H3
InChIKeyYLUMODWYBUVKEN-UHFFFAOYSA-N
MW343.65 g/mol
LogP3.96
Rot. Bonds4

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

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol (PubChem CID 114633444) has the molecular formula C14H16BrClN2O and a molecular weight of 343.65 g/mol. Its IUPAC name is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol.

Molecular Properties

Compound Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
PubChem CID114633444
Molecular FormulaC14H16BrClN2O
Molecular Weight343.65 g/mol
Exact Mass342.01
IUPAC Name1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol
SMILESCCCn1ncc(Br)c1C(C)(O)c1cccc(Cl)c1
InChIInChI=1S/C14H16BrClN2O/c1-3-7-18-13(12(15)9-17-18)14(2,19)10-5-4-6-11(16)8-10/h4-6,8-9,19H,3,7H2,1-2H3
InChIKeyYLUMODWYBUVKEN-UHFFFAOYSA-N
XLogP3.96
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.65
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633389
1-(4-bromo-1-propylpyrazol-5-yl)-1-(4-methylphenyl)ethanol
CID 114633346
1-(4-chloro-1-propylpyrazol-5-yl)-1-(3-methylphenyl)ethanol
CID 114633383
1-(4-bromo-2-chlorophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114637925
1-(2-bromophenyl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanol
CID 114633501
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-chlorophenyl)ethanol
CID 114633436
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-1-(3-methoxyphenyl)ethanol
CID 114633518
1-(4-bromo-1-propylpyrazol-5-yl)-1-(2-fluoro-6-methoxyphenyl)ethanol
CID 114638175
1-(4-bromophenyl)-1-(4-chloro-1-propylpyrazol-5-yl)ethanol
CID 114633467
1-(4-bromo-1-propylpyrazol-5-yl)-1-cyclohexylethanol
CID 114794969
1-(3-bromophenyl)-1-(2-propylpyrazol-3-yl)ethanol
CID 63975243
2-(4-bromo-1-propylpyrazol-5-yl)-1-ethoxypropan-2-ol
CID 114638555

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol?
The IUPAC name of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol (CID 114633444) is 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol.
What is the SMILES notation for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol?
The canonical SMILES for 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol is CCCn1ncc(Br)c1C(C)(O)c1cccc(Cl)c1.
What is the InChIKey of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol?
The InChIKey is YLUMODWYBUVKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrClN2O/c1-3-7-18-13(12(15)9-17-18)14(2,19)10-5-4-6-11(16)8-10/h4-6,8-9,19H,3,7H2,1-2H3.
What are the key properties of 1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol?
1-(4-bromo-1-propylpyrazol-5-yl)-1-(3-chlorophenyl)ethanol has a molecular weight of 343.65 g/mol, XLogP of 3.96, 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-chlorophenyl)ethanol is sourced from PubChem (CID 114633444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).