7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C20H20FN3O2 — CID 15958156

IUPAC7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-12-9-14(7-8-17(12)21)15-10-22-19-16(20(25)26)11-23-24(19)18(15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,25,26)
InChIKeyIVMCUSNSCJVICA-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.59
Rot. Bonds3

About 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958156) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958156
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1cc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)ccc1F
InChIInChI=1S/C20H20FN3O2/c1-12-9-14(7-8-17(12)21)15-10-22-19-16(20(25)26)11-23-24(19)18(15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,25,26)
InChIKeyIVMCUSNSCJVICA-UHFFFAOYSA-N
XLogP4.59
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.40
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958156) is 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1cc(-c2cnc3c(C(=O)O)cnn3c2C2CCCCC2)ccc1F.
What is the InChIKey of 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is IVMCUSNSCJVICA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-9-14(7-8-17(12)21)15-10-22-19-16(20(25)26)11-23-24(19)18(15)13-5-3-2-4-6-13/h7-11,13H,2-6H2,1H3,(H,25,26).
What are the key properties of 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 353.40 g/mol, XLogP of 4.59, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-(4-fluoro-3-methylphenyl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).