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

C17H17N3O3 — CID 15958135

IUPAC7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccoc3)cnc12
InChIInChI=1S/C17H17N3O3/c21-17(22)14-9-19-20-15(11-4-2-1-3-5-11)13(8-18-16(14)20)12-6-7-23-10-12/h6-11H,1-5H2,(H,21,22)
InChIKeyAHSFJXPGRJBQSH-UHFFFAOYSA-N
MW311.34 g/mol
LogP3.74
Rot. Bonds3

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

7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958135) has the molecular formula C17H17N3O3 and a molecular weight of 311.34 g/mol. Its IUPAC name is 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958135
Molecular FormulaC17H17N3O3
Molecular Weight311.34 g/mol
Exact Mass311.13
IUPAC Name7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccoc3)cnc12
InChIInChI=1S/C17H17N3O3/c21-17(22)14-9-19-20-15(11-4-2-1-3-5-11)13(8-18-16(14)20)12-6-7-23-10-12/h6-11H,1-5H2,(H,21,22)
InChIKeyAHSFJXPGRJBQSH-UHFFFAOYSA-N
XLogP3.74
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.34
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958135) is 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccoc3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is AHSFJXPGRJBQSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O3/c21-17(22)14-9-19-20-15(11-4-2-1-3-5-11)13(8-18-16(14)20)12-6-7-23-10-12/h6-11H,1-5H2,(H,21,22).
What are the key properties of 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 311.34 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-(furan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).