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

C18H19N3O3 — CID 15958182

IUPAC7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nn2c(C3CCCCC3)c(-c3ccoc3)cnc2c1C(=O)O
InChIInChI=1S/C18H19N3O3/c1-11-15(18(22)23)17-19-9-14(13-7-8-24-10-13)16(21(17)20-11)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,22,23)
InChIKeyNLMADBYDZJAGOS-UHFFFAOYSA-N
MW325.37 g/mol
LogP4.04
Rot. Bonds3

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

7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958182) has the molecular formula C18H19N3O3 and a molecular weight of 325.37 g/mol. Its IUPAC name is 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958182
Molecular FormulaC18H19N3O3
Molecular Weight325.37 g/mol
Exact Mass325.14
IUPAC Name7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nn2c(C3CCCCC3)c(-c3ccoc3)cnc2c1C(=O)O
InChIInChI=1S/C18H19N3O3/c1-11-15(18(22)23)17-19-9-14(13-7-8-24-10-13)16(21(17)20-11)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,22,23)
InChIKeyNLMADBYDZJAGOS-UHFFFAOYSA-N
XLogP4.04
TPSA80.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 54.04
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)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958182) is 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1nn2c(C3CCCCC3)c(-c3ccoc3)cnc2c1C(=O)O.
What is the InChIKey of 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is NLMADBYDZJAGOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3/c1-11-15(18(22)23)17-19-9-14(13-7-8-24-10-13)16(21(17)20-11)12-5-3-2-4-6-12/h7-10,12H,2-6H2,1H3,(H,22,23).
What are the key properties of 7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(furan-3-yl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 325.37 g/mol, XLogP of 4.04, 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)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).