2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol

C13H15BrClN3O — CID 103570282

IUPAC2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(C(CO)Nc2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C13H15BrClN3O/c1-2-18-7-9(6-16-18)13(8-19)17-10-3-4-12(15)11(14)5-10/h3-7,13,17,19H,2,8H2,1H3
InChIKeyHQIKCZVWKAQXLZ-UHFFFAOYSA-N
MW344.64 g/mol
LogP3.46
Rot. Bonds5

About 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol

2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol (PubChem CID 103570282) has the molecular formula C13H15BrClN3O and a molecular weight of 344.64 g/mol. Its IUPAC name is 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol.

Molecular Properties

Compound Name2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol
PubChem CID103570282
Molecular FormulaC13H15BrClN3O
Molecular Weight344.64 g/mol
Exact Mass343.01
IUPAC Name2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol
SMILESCCn1cc(C(CO)Nc2ccc(Cl)c(Br)c2)cn1
InChIInChI=1S/C13H15BrClN3O/c1-2-18-7-9(6-16-18)13(8-19)17-10-3-4-12(15)11(14)5-10/h3-7,13,17,19H,2,8H2,1H3
InChIKeyHQIKCZVWKAQXLZ-UHFFFAOYSA-N
XLogP3.46
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.64
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylpyrazol-4-yl)-2-(3-fluoroanilino)ethanol
CID 103570268
2-(3-bromo-4-chloroanilino)-2-(3-ethyl-1-methylpyrazol-4-yl)ethanol
CID 115990580
2-(4-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61049265
(3-bromo-4-chlorophenyl)-(1-propylpyrazol-4-yl)methanol
CID 115566276
[(4-bromo-3-chlorophenyl)-(1-ethylpyrazol-4-yl)methyl]hydrazine
CID 105289852
2-bromo-4-chloro-N-[1-(1-ethylpyrazol-4-yl)ethyl]aniline
CID 81262957
1-(3,4-dichlorophenyl)-1-(1-ethylpyrazol-4-yl)-N-methylmethanamine
CID 81492094
2-(3-bromo-4-chlorophenyl)-2-(methylamino)ethanol
CID 115563179
3-(3-bromo-4-chloroanilino)propane-1,2-diol
CID 82850538
N-[1-(4-bromo-3-chlorophenyl)-2-(1-ethylpyrazol-4-yl)ethyl]propan-1-amine
CID 115822956
N-[(3-bromo-4-chlorophenyl)-(1-methylpyrazol-4-yl)methyl]ethanamine
CID 113337190
2-(2-bromoanilino)-2-(1-methylpyrazol-4-yl)ethanol
CID 61048451

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol?
The IUPAC name of 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol (CID 103570282) is 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol.
What is the SMILES notation for 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol?
The canonical SMILES for 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol is CCn1cc(C(CO)Nc2ccc(Cl)c(Br)c2)cn1.
What is the InChIKey of 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol?
The InChIKey is HQIKCZVWKAQXLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrClN3O/c1-2-18-7-9(6-16-18)13(8-19)17-10-3-4-12(15)11(14)5-10/h3-7,13,17,19H,2,8H2,1H3.
What are the key properties of 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol?
2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol has a molecular weight of 344.64 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-chloroanilino)-2-(1-ethylpyrazol-4-yl)ethanol is sourced from PubChem (CID 103570282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).