2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol

C7H12BrN3O — CID 114637716

IUPAC2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
SMILESCCn1ncc(Br)c1C(O)CN
InChIInChI=1S/C7H12BrN3O/c1-2-11-7(6(12)3-9)5(8)4-10-11/h4,6,12H,2-3,9H2,1H3
InChIKeyTWMSJDASEVCQME-UHFFFAOYSA-N
MW234.10 g/mol
LogP0.66
Rot. Bonds3

About 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol

2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol (PubChem CID 114637716) has the molecular formula C7H12BrN3O and a molecular weight of 234.10 g/mol. Its IUPAC name is 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol.

Molecular Properties

Compound Name2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
PubChem CID114637716
Molecular FormulaC7H12BrN3O
Molecular Weight234.10 g/mol
Exact Mass233.02
IUPAC Name2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol
SMILESCCn1ncc(Br)c1C(O)CN
InChIInChI=1S/C7H12BrN3O/c1-2-11-7(6(12)3-9)5(8)4-10-11/h4,6,12H,2-3,9H2,1H3
InChIKeyTWMSJDASEVCQME-UHFFFAOYSA-N
XLogP0.66
TPSA64.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.10
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-(4-bromo-1-ethylpyrazol-5-yl)-3-(dimethylamino)propan-1-ol
CID 114645175
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methylsulfanylbutan-1-ol
CID 103089761
1-(4-bromo-1-ethylpyrazol-5-yl)-2-[(2-methylpropan-2-yl)oxy]ethanol
CID 105127584
1-(4-bromo-1-ethylpyrazol-5-yl)-3,5,5-trimethylhexan-1-ol
CID 115834803
1-(4-bromo-1-ethylpyrazol-5-yl)-4-phenylbutan-1-ol
CID 67963767
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylethanol
CID 114637053
(4-bromo-1-ethylpyrazol-5-yl)-(2,2,3,3-tetramethylcyclopropyl)methanol
CID 115834787
1-(4-bromo-1-ethylpyrazol-5-yl)-2-(6-methoxy-3-pyridinyl)ethanol
CID 114644859
1-(4-bromo-1-ethylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105127674
(4-bromo-1-ethylpyrazol-5-yl)-phenylmethanol
CID 114634339
1-(4-bromo-1-ethylpyrazol-5-yl)-2-cyclohexylsulfanylethanol
CID 114643899
(4-bromo-1-ethylpyrazol-5-yl)-(2-bromophenyl)methanol
CID 114634896

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol?
The IUPAC name of 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol (CID 114637716) is 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol.
What is the SMILES notation for 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol?
The canonical SMILES for 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol is CCn1ncc(Br)c1C(O)CN.
What is the InChIKey of 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol?
The InChIKey is TWMSJDASEVCQME-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12BrN3O/c1-2-11-7(6(12)3-9)5(8)4-10-11/h4,6,12H,2-3,9H2,1H3.
What are the key properties of 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol?
2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol has a molecular weight of 234.10 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-(4-bromo-1-ethylpyrazol-5-yl)ethanol is sourced from PubChem (CID 114637716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).