7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C11H13N3O3 — CID 137004182

IUPAC7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)c1cc(=O)[nH]c2c(C(=O)O)cnn12
InChIInChI=1S/C11H13N3O3/c1-11(2,3)7-4-8(15)13-9-6(10(16)17)5-12-14(7)9/h4-5H,1-3H3,(H,13,15)(H,16,17)
InChIKeyQEOHNKUDFIDLOJ-UHFFFAOYSA-N
MW235.24 g/mol
LogP1.02
Rot. Bonds1

About 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 137004182) has the molecular formula C11H13N3O3 and a molecular weight of 235.24 g/mol. Its IUPAC name is 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
PubChem CID137004182
Molecular FormulaC11H13N3O3
Molecular Weight235.24 g/mol
Exact Mass235.10
IUPAC Name7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
SMILESCC(C)(C)c1cc(=O)[nH]c2c(C(=O)O)cnn12
InChIInChI=1S/C11H13N3O3/c1-11(2,3)7-4-8(15)13-9-6(10(16)17)5-12-14(7)9/h4-5H,1-3H3,(H,13,15)(H,16,17)
InChIKeyQEOHNKUDFIDLOJ-UHFFFAOYSA-N
XLogP1.02
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 51.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-5-oxo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 171809141
7-methyl-5-oxo-4H-pyrazolo[1,5-a]quinazoline-3-carboxylic acid
CID 135723021
3-(2,2-dimethylbutanoyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137018670
4-[3-(cyclopropanecarbonyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylic acid
CID 137026059
tert-butyl 4-[3-(methylidenecarbamoyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137018335
tert-butyl 4-[3-(2-bromopropanoyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137251669
5-methyl-1-[6-oxo-4-(trifluoromethyl)-1H-pyridin-2-yl]pyrazole-4-carboxylic acid
CID 126739457
6-(2,4-dichlorophenyl)-7-hydroxy-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 141148742
3-bromo-7-propan-2-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one
CID 137224847
tert-butyl 4-(3-carbamoyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)piperidine-1-carboxylate;2-piperidin-1-ylacetamide
CID 145075487
3-(piperidine-1-carbonyl)-7-piperidin-4-yl-4H-pyrazolo[1,5-a]pyrimidin-5-one;hydrochloride
CID 137025847
tert-butyl 4-[3-[[[1-(4-methoxyphenyl)cyclopropanecarbonyl]amino]carbamoyl]-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl]piperidine-1-carboxylate
CID 137025879

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The IUPAC name of 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 137004182) is 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The canonical SMILES for 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CC(C)(C)c1cc(=O)[nH]c2c(C(=O)O)cnn12.
What is the InChIKey of 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
The InChIKey is QEOHNKUDFIDLOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O3/c1-11(2,3)7-4-8(15)13-9-6(10(16)17)5-12-14(7)9/h4-5H,1-3H3,(H,13,15)(H,16,17).
What are the key properties of 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?
7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 235.24 g/mol, XLogP of 1.02, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-tert-butyl-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 137004182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).