5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

C12H15N3O2 — CID 104708911

IUPAC5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnn2c(C(=O)O)cc(C(C)(C)C)nc12
InChIInChI=1S/C12H15N3O2/c1-7-6-13-15-8(11(16)17)5-9(12(2,3)4)14-10(7)15/h5-6H,1-4H3,(H,16,17)
InChIKeyMHTMWPALSOSRNA-UHFFFAOYSA-N
MW233.27 g/mol
LogP2.03
Rot. Bonds1

About 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid

5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (PubChem CID 104708911) has the molecular formula C12H15N3O2 and a molecular weight of 233.27 g/mol. Its IUPAC name is 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.

Molecular Properties

Compound Name5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
PubChem CID104708911
Molecular FormulaC12H15N3O2
Molecular Weight233.27 g/mol
Exact Mass233.12
IUPAC Name5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
SMILESCc1cnn2c(C(=O)O)cc(C(C)(C)C)nc12
InChIInChI=1S/C12H15N3O2/c1-7-6-13-15-8(11(16)17)5-9(12(2,3)4)14-10(7)15/h5-6H,1-4H3,(H,16,17)
InChIKeyMHTMWPALSOSRNA-UHFFFAOYSA-N
XLogP2.03
TPSA67.49 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.27
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-5-phenylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 113433503
5-cyclopropyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 97182124
5-tert-butyl-3-methyl-N-phenylpyrazolo[1,5-a]pyrimidin-7-amine
CID 163924380
5-methylpyrazolo[1,5-a]pyrimidine-3,7-dicarboxylic acid
CID 90791486
3-amino-5-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 84719834
7-chloro-3-methyl-5-(trifluoromethyl)pyrazolo[1,5-a]pyrimidine
CID 104621729
5-tert-butyl-7-chloro-3-ethylpyrazolo[1,5-a]pyrimidine
CID 22309031
5-methyl-3-(4-methyl-1,3-dioxetan-2-yl)pyrazolo[1,5-a]pyrimidine-7-carboxylic acid
CID 70296924
6-tert-butyl-1-cyclopentylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 115571620
1-butyl-6-tert-butylpyrazolo[5,4-b]pyridine-4-carboxylic acid
CID 104708905
3,5,7-trimethylpyrazolo[1,5-a]pyrimidine
CID 18684975
4-(2-tert-butyl-8-methylimidazo[1,2-a]pyridin-6-yl)benzoic acid
CID 93211518

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The IUPAC name of 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid (CID 104708911) is 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid.
What is the SMILES notation for 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The canonical SMILES for 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is Cc1cnn2c(C(=O)O)cc(C(C)(C)C)nc12.
What is the InChIKey of 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
The InChIKey is MHTMWPALSOSRNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O2/c1-7-6-13-15-8(11(16)17)5-9(12(2,3)4)14-10(7)15/h5-6H,1-4H3,(H,16,17).
What are the key properties of 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid?
5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid has a molecular weight of 233.27 g/mol, XLogP of 2.03, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-3-methylpyrazolo[1,5-a]pyrimidine-7-carboxylic acid is sourced from PubChem (CID 104708911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).