2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol

C10H10BrN7O — CID 166656160

IUPAC2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol
SMILESNc1nc(-n2cccn2)nc(N2CC(O)C=N2)c1Br
InChIInChI=1S/C10H10BrN7O/c11-7-8(12)15-10(17-3-1-2-13-17)16-9(7)18-5-6(19)4-14-18/h1-4,6,19H,5H2,(H2,12,15,16)
InChIKeyRJSQVBAZNGJIML-UHFFFAOYSA-N
MW324.14 g/mol
LogP0.17
Rot. Bonds2

About 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol

2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol (PubChem CID 166656160) has the molecular formula C10H10BrN7O and a molecular weight of 324.14 g/mol. Its IUPAC name is 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol.

Molecular Properties

Compound Name2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol
PubChem CID166656160
Molecular FormulaC10H10BrN7O
Molecular Weight324.14 g/mol
Exact Mass323.01
IUPAC Name2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol
SMILESNc1nc(-n2cccn2)nc(N2CC(O)C=N2)c1Br
InChIInChI=1S/C10H10BrN7O/c11-7-8(12)15-10(17-3-1-2-13-17)16-9(7)18-5-6(19)4-14-18/h1-4,6,19H,5H2,(H2,12,15,16)
InChIKeyRJSQVBAZNGJIML-UHFFFAOYSA-N
XLogP0.17
TPSA105.45 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.14
LogP ≤ 50.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
The IUPAC name of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol (CID 166656160) is 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol.
What is the SMILES notation for 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
The canonical SMILES for 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol is Nc1nc(-n2cccn2)nc(N2CC(O)C=N2)c1Br.
What is the InChIKey of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
The InChIKey is RJSQVBAZNGJIML-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN7O/c11-7-8(12)15-10(17-3-1-2-13-17)16-9(7)18-5-6(19)4-14-18/h1-4,6,19H,5H2,(H2,12,15,16).
What are the key properties of 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol?
2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol has a molecular weight of 324.14 g/mol, XLogP of 0.17, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)-3,4-dihydropyrazol-4-ol is sourced from PubChem (CID 166656160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).