1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid

C10H7N5O2 — CID 115372957

IUPAC1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccn3nccc3n2)cn1
InChIInChI=1S/C10H7N5O2/c16-10(17)7-5-14(6-11-7)8-2-4-15-9(13-8)1-3-12-15/h1-6H,(H,16,17)
InChIKeyJBMKYKVFQCGSDI-UHFFFAOYSA-N
MW229.20 g/mol
LogP0.61
Rot. Bonds2

About 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid

1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid (PubChem CID 115372957) has the molecular formula C10H7N5O2 and a molecular weight of 229.20 g/mol. Its IUPAC name is 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid
PubChem CID115372957
Molecular FormulaC10H7N5O2
Molecular Weight229.20 g/mol
Exact Mass229.06
IUPAC Name1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid
SMILESO=C(O)c1cn(-c2ccn3nccc3n2)cn1
InChIInChI=1S/C10H7N5O2/c16-10(17)7-5-14(6-11-7)8-2-4-15-9(13-8)1-3-12-15/h1-6H,(H,16,17)
InChIKeyJBMKYKVFQCGSDI-UHFFFAOYSA-N
XLogP0.61
TPSA85.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.20
LogP ≤ 50.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid?
The IUPAC name of 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid (CID 115372957) is 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid.
What is the SMILES notation for 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid?
The canonical SMILES for 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid is O=C(O)c1cn(-c2ccn3nccc3n2)cn1.
What is the InChIKey of 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid?
The InChIKey is JBMKYKVFQCGSDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O2/c16-10(17)7-5-14(6-11-7)8-2-4-15-9(13-8)1-3-12-15/h1-6H,(H,16,17).
What are the key properties of 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid?
1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid has a molecular weight of 229.20 g/mol, XLogP of 0.61, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrazolo[1,5-a]pyrimidin-5-ylimidazole-4-carboxylic acid is sourced from PubChem (CID 115372957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).