2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C15H19N3O3 — CID 82271518

IUPAC2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CCC3)cc12
InChIInChI=1S/C15H19N3O3/c1-9(2)8-17-12(15(20)21)7-14(19)18-13(17)6-11(16-18)10-4-3-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyMYSCSHGPOUFWOZ-UHFFFAOYSA-N
MW289.34 g/mol
LogP2.12
Rot. Bonds4

About 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid

2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271518) has the molecular formula C15H19N3O3 and a molecular weight of 289.34 g/mol. Its IUPAC name is 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271518
Molecular FormulaC15H19N3O3
Molecular Weight289.34 g/mol
Exact Mass289.14
IUPAC Name2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CCC3)cc12
InChIInChI=1S/C15H19N3O3/c1-9(2)8-17-12(15(20)21)7-14(19)18-13(17)6-11(16-18)10-4-3-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21)
InChIKeyMYSCSHGPOUFWOZ-UHFFFAOYSA-N
XLogP2.12
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271518) is 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)Cn1c(C(=O)O)cc(=O)n2nc(C3CCC3)cc12.
What is the InChIKey of 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MYSCSHGPOUFWOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3/c1-9(2)8-17-12(15(20)21)7-14(19)18-13(17)6-11(16-18)10-4-3-5-10/h6-7,9-10H,3-5,8H2,1-2H3,(H,20,21).
What are the key properties of 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 289.34 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).