7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C20H20FN3O2 — CID 15958181

IUPAC7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc2c1C(=O)O
InChIInChI=1S/C20H20FN3O2/c1-12-17(20(25)26)19-22-11-16(13-7-9-15(21)10-8-13)18(24(19)23-12)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,25,26)
InChIKeyFOQBXWFFKRPTEU-UHFFFAOYSA-N
MW353.40 g/mol
LogP4.59
Rot. Bonds3

About 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958181) has the molecular formula C20H20FN3O2 and a molecular weight of 353.40 g/mol. Its IUPAC name is 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958181
Molecular FormulaC20H20FN3O2
Molecular Weight353.40 g/mol
Exact Mass353.15
IUPAC Name7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCc1nn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc2c1C(=O)O
InChIInChI=1S/C20H20FN3O2/c1-12-17(20(25)26)19-22-11-16(13-7-9-15(21)10-8-13)18(24(19)23-12)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,25,26)
InChIKeyFOQBXWFFKRPTEU-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-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958181) is 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is Cc1nn2c(C3CCCCC3)c(-c3ccc(F)cc3)cnc2c1C(=O)O.
What is the InChIKey of 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is FOQBXWFFKRPTEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O2/c1-12-17(20(25)26)19-22-11-16(13-7-9-15(21)10-8-13)18(24(19)23-12)14-5-3-2-4-6-14/h7-11,14H,2-6H2,1H3,(H,25,26).
What are the key properties of 7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-(4-fluorophenyl)-2-methylpyrazolo[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-fluorophenyl)-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).