1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol

C11H12BrN3O — CID 65361725

IUPAC1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c12-8-3-1-7(2-4-8)5-10(16)9-6-14-15-11(9)13/h1-4,6,10,16H,5H2,(H3,13,14,15)
InChIKeyXRLZDLYWNZIHEA-UHFFFAOYSA-N
MW282.14 g/mol
LogP2.03
Rot. Bonds3

About 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol

1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol (PubChem CID 65361725) has the molecular formula C11H12BrN3O and a molecular weight of 282.14 g/mol. Its IUPAC name is 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol.

Molecular Properties

Compound Name1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
PubChem CID65361725
Molecular FormulaC11H12BrN3O
Molecular Weight282.14 g/mol
Exact Mass281.02
IUPAC Name1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol
SMILESNc1[nH]ncc1C(O)Cc1ccc(Br)cc1
InChIInChI=1S/C11H12BrN3O/c12-8-3-1-7(2-4-8)5-10(16)9-6-14-15-11(9)13/h1-4,6,10,16H,5H2,(H3,13,14,15)
InChIKeyXRLZDLYWNZIHEA-UHFFFAOYSA-N
XLogP2.03
TPSA74.93 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.14
LogP ≤ 52.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol?
The IUPAC name of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol (CID 65361725) is 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol.
What is the SMILES notation for 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol?
The canonical SMILES for 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol is Nc1[nH]ncc1C(O)Cc1ccc(Br)cc1.
What is the InChIKey of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol?
The InChIKey is XRLZDLYWNZIHEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3O/c12-8-3-1-7(2-4-8)5-10(16)9-6-14-15-11(9)13/h1-4,6,10,16H,5H2,(H3,13,14,15).
What are the key properties of 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol?
1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol has a molecular weight of 282.14 g/mol, XLogP of 2.03, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-amino-1H-pyrazol-4-yl)-2-(4-bromophenyl)ethanol is sourced from PubChem (CID 65361725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).