1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one

C10H11BrN4O — CID 114760038

IUPAC1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one
SMILESNc1cnn(CCn2cccc(Br)c2=O)c1
InChIInChI=1S/C10H11BrN4O/c11-9-2-1-3-14(10(9)16)4-5-15-7-8(12)6-13-15/h1-3,6-7H,4-5,12H2
InChIKeyGVQNLMHPZWMZER-UHFFFAOYSA-N
MW283.13 g/mol
LogP1.09
Rot. Bonds3

About 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one

1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one (PubChem CID 114760038) has the molecular formula C10H11BrN4O and a molecular weight of 283.13 g/mol. Its IUPAC name is 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one.

Molecular Properties

Compound Name1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one
PubChem CID114760038
Molecular FormulaC10H11BrN4O
Molecular Weight283.13 g/mol
Exact Mass282.01
IUPAC Name1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one
SMILESNc1cnn(CCn2cccc(Br)c2=O)c1
InChIInChI=1S/C10H11BrN4O/c11-9-2-1-3-14(10(9)16)4-5-15-7-8(12)6-13-15/h1-3,6-7H,4-5,12H2
InChIKeyGVQNLMHPZWMZER-UHFFFAOYSA-N
XLogP1.09
TPSA65.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one?
The IUPAC name of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one (CID 114760038) is 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one.
What is the SMILES notation for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one?
The canonical SMILES for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one is Nc1cnn(CCn2cccc(Br)c2=O)c1.
What is the InChIKey of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one?
The InChIKey is GVQNLMHPZWMZER-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN4O/c11-9-2-1-3-14(10(9)16)4-5-15-7-8(12)6-13-15/h1-3,6-7H,4-5,12H2.
What are the key properties of 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one?
1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one has a molecular weight of 283.13 g/mol, XLogP of 1.09, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(4-aminopyrazol-1-yl)ethyl]-3-bromopyridin-2-one is sourced from PubChem (CID 114760038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).