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

C15H21N3O3 — CID 82271513

IUPAC2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H21N3O3/c1-9(2)8-17-10(14(20)21)6-13(19)18-12(17)7-11(16-18)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,20,21)
InChIKeyWLTSAWBRCHBABZ-UHFFFAOYSA-N
MW291.35 g/mol
LogP2.15
Rot. Bonds3

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

2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 82271513) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID82271513
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCC(C)Cn1c(C(=O)O)cc(=O)n2nc(C(C)(C)C)cc12
InChIInChI=1S/C15H21N3O3/c1-9(2)8-17-10(14(20)21)6-13(19)18-12(17)7-11(16-18)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,20,21)
InChIKeyWLTSAWBRCHBABZ-UHFFFAOYSA-N
XLogP2.15
TPSA76.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[11-Tert-butyl-5-(2-methoxyethyl)-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetic acid
CID 45977869
4-Ethyl-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271470
7-Oxo-4-propyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271495
4-(2-Methylpropyl)-7-oxo-2-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271515
2-(11-Tert-butyl-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetic acid
CID 42798808
2-(5-Butan-2-yl-11-tert-butyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetic acid
CID 46138133
2-[11-Tert-butyl-2,6-dioxo-5-(2-oxo-2-pyrrolidin-1-ylethyl)-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetic acid
CID 142564848
2-[11-tert-butyl-5-[(2S)-1-methoxypropan-2-yl]-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetic acid
CID 142564898
2-[5-Formyl-6-[[2-methoxyethyl(methyl)amino]methyl]-7-oxo-2-propan-2-ylpyrazolo[1,5-a]pyrimidin-4-yl]acetic acid
CID 142565067
2-(11-Ethyl-2,6-dioxo-5-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl)acetic acid
CID 142565131
Ethyl 2-[2-tert-butyl-6-[[formyl(2-methoxyethyl)amino]methyl]-5-methyl-7-oxopyrazolo[1,5-a]pyrimidin-4-yl]acetate
CID 142565142
2-[5-(2-Hydroxy-2-methylpropyl)-2,6-dioxo-11-propan-2-yl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-trien-8-yl]acetic acid
CID 142565244

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 82271513) is 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CC(C)Cn1c(C(=O)O)cc(=O)n2nc(C(C)(C)C)cc12.
What is the InChIKey of 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is WLTSAWBRCHBABZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-9(2)8-17-10(14(20)21)6-13(19)18-12(17)7-11(16-18)15(3,4)5/h6-7,9H,8H2,1-5H3,(H,20,21).
What are the key properties of 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 291.35 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(2-methylpropyl)-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 82271513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).