6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C17H17N3O4 — CID 15958253

IUPAC6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccoc3)c(C3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C17H17N3O4/c21-16-14(10-4-2-1-3-5-10)15(11-6-7-24-9-11)18-13-8-12(17(22)23)19-20(13)16/h6-10,19H,1-5H2,(H,22,23)
InChIKeyWZLQTYSUZRIEDB-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.03
Rot. Bonds3

About 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid

6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 15958253) has the molecular formula C17H17N3O4 and a molecular weight of 327.34 g/mol. Its IUPAC name is 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID15958253
Molecular FormulaC17H17N3O4
Molecular Weight327.34 g/mol
Exact Mass327.12
IUPAC Name6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESO=C(O)c1cc2nc(-c3ccoc3)c(C3CCCCC3)c(=O)n2[nH]1
InChIInChI=1S/C17H17N3O4/c21-16-14(10-4-2-1-3-5-10)15(11-6-7-24-9-11)18-13-8-12(17(22)23)19-20(13)16/h6-10,19H,1-5H2,(H,22,23)
InChIKeyWZLQTYSUZRIEDB-UHFFFAOYSA-N
XLogP3.03
TPSA100.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 15958253) is 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is O=C(O)c1cc2nc(-c3ccoc3)c(C3CCCCC3)c(=O)n2[nH]1.
What is the InChIKey of 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is WZLQTYSUZRIEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O4/c21-16-14(10-4-2-1-3-5-10)15(11-6-7-24-9-11)18-13-8-12(17(22)23)19-20(13)16/h6-10,19H,1-5H2,(H,22,23).
What are the key properties of 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 327.34 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-5-(furan-3-yl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 15958253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).