7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

C17H23N3O2 — CID 167206273

IUPAC7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC(C)(C)c1cc(C2CCCCC2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C17H23N3O2/c1-17(2,3)14-9-12(11-7-5-4-6-8-11)18-15-10-13(16(21)22)19-20(14)15/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKeyIEMYQUVGYLKGNQ-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.77
Rot. Bonds2

About 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid

7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 167206273) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID167206273
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCC(C)(C)c1cc(C2CCCCC2)nc2cc(C(=O)O)nn12
InChIInChI=1S/C17H23N3O2/c1-17(2,3)14-9-12(11-7-5-4-6-8-11)18-15-10-13(16(21)22)19-20(14)15/h9-11H,4-8H2,1-3H3,(H,21,22)
InChIKeyIEMYQUVGYLKGNQ-UHFFFAOYSA-N
XLogP3.77
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 167206273) is 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CC(C)(C)c1cc(C2CCCCC2)nc2cc(C(=O)O)nn12.
What is the InChIKey of 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is IEMYQUVGYLKGNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-17(2,3)14-9-12(11-7-5-4-6-8-11)18-15-10-13(16(21)22)19-20(14)15/h9-11H,4-8H2,1-3H3,(H,21,22).
What are the key properties of 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 301.39 g/mol, XLogP of 3.77, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-cyclohexylpyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 167206273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).