5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

C8H8N4O2 — CID 76847253

IUPAC5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCc1ncc2[nH]nc(C(=O)O)c2n1
InChIInChI=1S/C8H8N4O2/c1-2-5-9-3-4-6(10-5)7(8(13)14)12-11-4/h3H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeySWNUIMLZHMIVAU-UHFFFAOYSA-N
MW192.18 g/mol
LogP0.61
Rot. Bonds2

About 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid

5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid (PubChem CID 76847253) has the molecular formula C8H8N4O2 and a molecular weight of 192.18 g/mol. Its IUPAC name is 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid.

Molecular Properties

Compound Name5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
PubChem CID76847253
Molecular FormulaC8H8N4O2
Molecular Weight192.18 g/mol
Exact Mass192.06
IUPAC Name5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
SMILESCCc1ncc2[nH]nc(C(=O)O)c2n1
InChIInChI=1S/C8H8N4O2/c1-2-5-9-3-4-6(10-5)7(8(13)14)12-11-4/h3H,2H2,1H3,(H,11,12)(H,13,14)
InChIKeySWNUIMLZHMIVAU-UHFFFAOYSA-N
XLogP0.61
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.18
LogP ≤ 50.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-ethyl-1H-pyrazolo[4,3-b]pyridine-3-carboxylic acid
CID 82373244
5-ethyl-[1,2]oxazolo[4,5-d]pyrimidine-3-carboxylic acid
CID 82373195
7-ethyl-4-oxo-1H-cinnoline-3-carboxylic acid
CID 84819583
5-(2,4-dimethylbenzoyl)-2-ethylpyrimidine-4-carboxylic acid
CID 82170476
5-[(2R)-2-[6-(3-aminopropoxy)-2-pyridinyl]pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 130475837
2-ethyl-4-propan-2-yloxypyrimidine-5-carboxylic acid
CID 83884924
5-[2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidin-1-yl]-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid
CID 130475827
5-bromo-2-ethylthieno[2,3-d]pyrimidine-6-carboxylic acid
CID 84813930
2,4-diethylpyrimidine-5-carboxylate
CID 71434686
3-methyl-5-sulfanylidene-2H-1,2,4-triazine-6-carboxylic acid
CID 175084859
4-pentyl-1H-indazole-3-carboxylic acid
CID 170458455
4-methyl-1H-indazole-3-carboxylic acid;hydrochloride
CID 67853661

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
The IUPAC name of 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid (CID 76847253) is 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid.
What is the SMILES notation for 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
The canonical SMILES for 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid is CCc1ncc2[nH]nc(C(=O)O)c2n1.
What is the InChIKey of 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
The InChIKey is SWNUIMLZHMIVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2/c1-2-5-9-3-4-6(10-5)7(8(13)14)12-11-4/h3H,2H2,1H3,(H,11,12)(H,13,14).
What are the key properties of 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid?
5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid has a molecular weight of 192.18 g/mol, XLogP of 0.61, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1H-pyrazolo[4,3-d]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 76847253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).