(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

C10H9BrN4O — CID 114670896

IUPAC(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1ccc(N)cn1
InChIInChI=1S/C10H9BrN4O/c1-15-9(7(11)5-14-15)10(16)8-3-2-6(12)4-13-8/h2-5H,12H2,1H3
InChIKeyDTDPMVIEFHCWMH-UHFFFAOYSA-N
MW281.11 g/mol
LogP1.39
Rot. Bonds2

About (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone

(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (PubChem CID 114670896) has the molecular formula C10H9BrN4O and a molecular weight of 281.11 g/mol. Its IUPAC name is (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.

Molecular Properties

Compound Name(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
PubChem CID114670896
Molecular FormulaC10H9BrN4O
Molecular Weight281.11 g/mol
Exact Mass280.00
IUPAC Name(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone
SMILESCn1ncc(Br)c1C(=O)c1ccc(N)cn1
InChIInChI=1S/C10H9BrN4O/c1-15-9(7(11)5-14-15)10(16)8-3-2-6(12)4-13-8/h2-5H,12H2,1H3
InChIKeyDTDPMVIEFHCWMH-UHFFFAOYSA-N
XLogP1.39
TPSA73.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.11
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone 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 (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The IUPAC name of (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone (CID 114670896) is (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone.
What is the SMILES notation for (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The canonical SMILES for (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is Cn1ncc(Br)c1C(=O)c1ccc(N)cn1.
What is the InChIKey of (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
The InChIKey is DTDPMVIEFHCWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN4O/c1-15-9(7(11)5-14-15)10(16)8-3-2-6(12)4-13-8/h2-5H,12H2,1H3.
What are the key properties of (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone?
(5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone has a molecular weight of 281.11 g/mol, XLogP of 1.39, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-amino-2-pyridinyl)-(4-bromo-1-methylpyrazol-5-yl)methanone is sourced from PubChem (CID 114670896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).