1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol

C14H18BrN3O — CID 106695693

IUPAC1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cccc(N)c1
InChIInChI=1S/C14H18BrN3O/c1-3-18-12(14(15)9(2)17-18)8-13(19)10-5-4-6-11(16)7-10/h4-7,13,19H,3,8,16H2,1-2H3
InChIKeySGZJTOPAJKRDEB-UHFFFAOYSA-N
MW324.22 g/mol
LogP2.83
Rot. Bonds4

About 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol

1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol (PubChem CID 106695693) has the molecular formula C14H18BrN3O and a molecular weight of 324.22 g/mol. Its IUPAC name is 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
PubChem CID106695693
Molecular FormulaC14H18BrN3O
Molecular Weight324.22 g/mol
Exact Mass323.06
IUPAC Name1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
SMILESCCn1nc(C)c(Br)c1CC(O)c1cccc(N)c1
InChIInChI=1S/C14H18BrN3O/c1-3-18-12(14(15)9(2)17-18)8-13(19)10-5-4-6-11(16)7-10/h4-7,13,19H,3,8,16H2,1-2H3
InChIKeySGZJTOPAJKRDEB-UHFFFAOYSA-N
XLogP2.83
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.22
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(3-cyclopropylphenyl)ethanol
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1-(2-amino-3-methoxyphenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
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CID 79431391
2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-(2-fluoro-4-methylphenyl)ethanol
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2-[2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-1-hydrazinylethyl]aniline
CID 105223757
1-(2-bromo-3,4-difluorophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol
CID 107538503
1-(3-aminophenyl)-2-(3,4,5-trimethylpyrazol-1-yl)ethanol
CID 55055399

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The IUPAC name of 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol (CID 106695693) is 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol.
What is the SMILES notation for 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The canonical SMILES for 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol is CCn1nc(C)c(Br)c1CC(O)c1cccc(N)c1.
What is the InChIKey of 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
The InChIKey is SGZJTOPAJKRDEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O/c1-3-18-12(14(15)9(2)17-18)8-13(19)10-5-4-6-11(16)7-10/h4-7,13,19H,3,8,16H2,1-2H3.
What are the key properties of 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol?
1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol has a molecular weight of 324.22 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminophenyl)-2-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)ethanol is sourced from PubChem (CID 106695693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).