5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

C11H11N3O3 — CID 84696497

IUPAC5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2nc(C3CC3)c(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C11H11N3O3/c1-5-4-7-12-9(6-2-3-6)8(11(16)17)10(15)14(7)13-5/h4,6,13H,2-3H2,1H3,(H,16,17)
InChIKeyWPHVWEWLULWERX-UHFFFAOYSA-N
MW233.23 g/mol
LogP0.91
Rot. Bonds2

About 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid

5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (PubChem CID 84696497) has the molecular formula C11H11N3O3 and a molecular weight of 233.23 g/mol. Its IUPAC name is 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.

Molecular Properties

Compound Name5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
PubChem CID84696497
Molecular FormulaC11H11N3O3
Molecular Weight233.23 g/mol
Exact Mass233.08
IUPAC Name5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid
SMILESCc1cc2nc(C3CC3)c(C(=O)O)c(=O)n2[nH]1
InChIInChI=1S/C11H11N3O3/c1-5-4-7-12-9(6-2-3-6)8(11(16)17)10(15)14(7)13-5/h4,6,13H,2-3H2,1H3,(H,16,17)
InChIKeyWPHVWEWLULWERX-UHFFFAOYSA-N
XLogP0.91
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.23
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,5-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-6-yl)acetic acid
CID 82269784
11-methyl-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 146160690
11-methyl-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-trien-2-one
CID 3613608
2-methyl-5-[1-(pyridine-2-carbonyl)pyrrolidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110216191
2-methyl-5-[1-(oxane-2-carbonyl)piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110132890
2-methyl-5-[1-[(2S)-oxane-2-carbonyl]piperidin-4-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 124977155
2-methyl-5-[(2R)-1-(2-pyrrolidin-1-ylacetyl)piperidin-2-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125015027
5-cyclopropyl-2-methyl-3-oxo-1H-pyrazole-4-carboxylic acid
CID 84658317
4-cyclopropyl-6-methylpyrimidine-5-carboxylic acid
CID 82372474
5,7-dichloro-2-methyl-1H-pyrazolo[5,1-b]quinazolin-9-one
CID 165354598
5-[(2S)-1-(2-imidazol-1-ylacetyl)piperidin-2-yl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 125006285
6-[(1R,5S)-6-(cyclopropylmethyl)-7-oxo-3,6-diazabicyclo[3.2.2]nonane-3-carbonyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 133117171

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The IUPAC name of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid (CID 84696497) is 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid.
What is the SMILES notation for 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The canonical SMILES for 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is Cc1cc2nc(C3CC3)c(C(=O)O)c(=O)n2[nH]1.
What is the InChIKey of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
The InChIKey is WPHVWEWLULWERX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O3/c1-5-4-7-12-9(6-2-3-6)8(11(16)17)10(15)14(7)13-5/h4,6,13H,2-3H2,1H3,(H,16,17).
What are the key properties of 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid?
5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid has a molecular weight of 233.23 g/mol, XLogP of 0.91, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-2-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-6-carboxylic acid is sourced from PubChem (CID 84696497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).