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

C10H11N3O3 — CID 114514317

IUPAC6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCc1c(C)nc2cc(C(=O)O)[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-3-6-5(2)11-8-4-7(10(15)16)12-13(8)9(6)14/h4,12H,3H2,1-2H3,(H,15,16)
InChIKeyJOIRYMOYHNFKOC-UHFFFAOYSA-N
MW221.22 g/mol
LogP0.59
Rot. Bonds2

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

6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (PubChem CID 114514317) has the molecular formula C10H11N3O3 and a molecular weight of 221.22 g/mol. Its IUPAC name is 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.

Molecular Properties

Compound Name6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
PubChem CID114514317
Molecular FormulaC10H11N3O3
Molecular Weight221.22 g/mol
Exact Mass221.08
IUPAC Name6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid
SMILESCCc1c(C)nc2cc(C(=O)O)[nH]n2c1=O
InChIInChI=1S/C10H11N3O3/c1-3-6-5(2)11-8-4-7(10(15)16)12-13(8)9(6)14/h4,12H,3H2,1-2H3,(H,15,16)
InChIKeyJOIRYMOYHNFKOC-UHFFFAOYSA-N
XLogP0.59
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.22
LogP ≤ 50.59
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
ethyl 5,6-dimethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 114514372
2-(4-chlorophenyl)-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761950
6-ethyl-5-methyl-2-[1-(2-methylpropanoyl)piperidin-3-yl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214668
6-ethyl-5,7-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-2-one
CID 23063922
7-methylsulfanyl-9-oxo-1H-pyrazolo[5,1-b]quinazoline-2-carboxylic acid
CID 12713241
3-methyl-5H-pyrazolo[5,1-c][1,2,4]triazole-6-carboxylic acid
CID 22239330
3-ethyl-2-methyl-4-oxopyrido[1,2-a]pyrimidine-7-carboxylic acid
CID 154321070
6-ethyl-2-[1-(imidazole-1-carbonyl)piperidin-3-yl]-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110215111
2-oxo-5-thia-1,8,12-triazatricyclo[7.3.0.03,7]dodeca-3(7),8,10-triene-11-carboxylic acid
CID 114514349
6-ethyl-N,5-dimethyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 99810661
2-[1-[2-(dimethylamino)pyrimidine-5-carbonyl]piperidin-3-yl]-6-ethyl-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 110214681

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The IUPAC name of 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid (CID 114514317) is 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid.
What is the SMILES notation for 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The canonical SMILES for 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is CCc1c(C)nc2cc(C(=O)O)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
The InChIKey is JOIRYMOYHNFKOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O3/c1-3-6-5(2)11-8-4-7(10(15)16)12-13(8)9(6)14/h4,12H,3H2,1-2H3,(H,15,16).
What are the key properties of 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid?
6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid has a molecular weight of 221.22 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-2-carboxylic acid is sourced from PubChem (CID 114514317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).