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

C10H8BrN7O — CID 135303972

IUPAC1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol
SMILESNc1nc(-n2cc(O)cn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C10H8BrN7O/c11-7-8(12)15-10(18-5-6(19)4-14-18)16-9(7)17-3-1-2-13-17/h1-5,19H,(H2,12,15,16)
InChIKeyXSLJSHJSFPBCAB-UHFFFAOYSA-N
MW322.13 g/mol
LogP0.90
Rot. Bonds2

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

1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol (PubChem CID 135303972) has the molecular formula C10H8BrN7O and a molecular weight of 322.13 g/mol. Its IUPAC name is 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol.

Molecular Properties

Compound Name1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol
PubChem CID135303972
Molecular FormulaC10H8BrN7O
Molecular Weight322.13 g/mol
Exact Mass321.00
IUPAC Name1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol
SMILESNc1nc(-n2cc(O)cn2)nc(-n2cccn2)c1Br
InChIInChI=1S/C10H8BrN7O/c11-7-8(12)15-10(18-5-6(19)4-14-18)16-9(7)17-3-1-2-13-17/h1-5,19H,(H2,12,15,16)
InChIKeyXSLJSHJSFPBCAB-UHFFFAOYSA-N
XLogP0.90
TPSA107.67 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.13
LogP ≤ 50.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

Taminadenant
CID 53466958
5-Bromo-6-(4-methylpyrazol-1-yl)-2-pyrazol-1-ylpyrimidin-4-amine
CID 53466960
1-(6-Amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrrolidin-3-ol
CID 53467397
5-bromo-N-methyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467830
5-bromo-N-ethyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467831
5-bromo-N-prop-2-ynyl-2,6-di(pyrazol-1-yl)pyrimidin-4-amine
CID 53467833
5-Bromo-2-(4-methylpyrazol-1-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 53468045
5-Bromo-6-pyrazol-1-yl-2-(1,2,4-triazol-1-yl)pyrimidin-4-amine
CID 77107702
1-(6-Amino-5-bromo-2-pyrazol-1-ylpyrimidin-4-yl)pyrazol-4-ol
CID 135303979
5-Bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;sulfuric acid
CID 137352535
5-Bromo-2,6-di(pyrazol-1-yl)pyrimidin-4-amine;hydrochloride
CID 137352557
5-Bromo-2-(3,4-dihydropyrazol-2-yl)-6-pyrazol-1-ylpyrimidin-4-amine
CID 139516022

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol?
The IUPAC name of 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol (CID 135303972) is 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol.
What is the SMILES notation for 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol?
The canonical SMILES for 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol is Nc1nc(-n2cc(O)cn2)nc(-n2cccn2)c1Br.
What is the InChIKey of 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol?
The InChIKey is XSLJSHJSFPBCAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8BrN7O/c11-7-8(12)15-10(18-5-6(19)4-14-18)16-9(7)17-3-1-2-13-17/h1-5,19H,(H2,12,15,16).
What are the key properties of 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol?
1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol has a molecular weight of 322.13 g/mol, XLogP of 0.90, 2 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-5-bromo-6-pyrazol-1-ylpyrimidin-2-yl)pyrazol-4-ol is sourced from PubChem (CID 135303972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).