7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C19H19N3O2 — CID 15958109

IUPAC7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccccc3)cnc12
InChIInChI=1S/C19H19N3O2/c23-19(24)16-12-21-22-17(14-9-5-2-6-10-14)15(11-20-18(16)22)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,23,24)
InChIKeyZCGKKJSKJAWPBC-UHFFFAOYSA-N
MW321.38 g/mol
LogP4.14
Rot. Bonds3

About 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 15958109) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID15958109
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC Name7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESO=C(O)c1cnn2c(C3CCCCC3)c(-c3ccccc3)cnc12
InChIInChI=1S/C19H19N3O2/c23-19(24)16-12-21-22-17(14-9-5-2-6-10-14)15(11-20-18(16)22)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,23,24)
InChIKeyZCGKKJSKJAWPBC-UHFFFAOYSA-N
XLogP4.14
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 15958109) is 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is O=C(O)c1cnn2c(C3CCCCC3)c(-c3ccccc3)cnc12.
What is the InChIKey of 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is ZCGKKJSKJAWPBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O2/c23-19(24)16-12-21-22-17(14-9-5-2-6-10-14)15(11-20-18(16)22)13-7-3-1-4-8-13/h1,3-4,7-8,11-12,14H,2,5-6,9-10H2,(H,23,24).
What are the key properties of 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 321.38 g/mol, XLogP of 4.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-6-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 15958109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).