4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid

C13H13N5O3 — CID 175325173

IUPAC4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid
SMILESCCc1c(C)nc2c(-c3cnn(C(=O)O)c3)c[nH]n2c1=O
InChIInChI=1S/C13H13N5O3/c1-3-9-7(2)16-11-10(5-15-18(11)12(9)19)8-4-14-17(6-8)13(20)21/h4-6,15H,3H2,1-2H3,(H,20,21)
InChIKeyGZSBETIZRGMUSE-UHFFFAOYSA-N
MW287.28 g/mol
LogP1.28
Rot. Bonds2

About 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid

4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid (PubChem CID 175325173) has the molecular formula C13H13N5O3 and a molecular weight of 287.28 g/mol. Its IUPAC name is 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid.

Molecular Properties

Compound Name4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid
PubChem CID175325173
Molecular FormulaC13H13N5O3
Molecular Weight287.28 g/mol
Exact Mass287.10
IUPAC Name4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid
SMILESCCc1c(C)nc2c(-c3cnn(C(=O)O)c3)c[nH]n2c1=O
InChIInChI=1S/C13H13N5O3/c1-3-9-7(2)16-11-10(5-15-18(11)12(9)19)8-4-14-17(6-8)13(20)21/h4-6,15H,3H2,1-2H3,(H,20,21)
InChIKeyGZSBETIZRGMUSE-UHFFFAOYSA-N
XLogP1.28
TPSA105.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 51.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid?
The IUPAC name of 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid (CID 175325173) is 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid.
What is the SMILES notation for 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid?
The canonical SMILES for 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid is CCc1c(C)nc2c(-c3cnn(C(=O)O)c3)c[nH]n2c1=O.
What is the InChIKey of 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid?
The InChIKey is GZSBETIZRGMUSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O3/c1-3-9-7(2)16-11-10(5-15-18(11)12(9)19)8-4-14-17(6-8)13(20)21/h4-6,15H,3H2,1-2H3,(H,20,21).
What are the key properties of 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid?
4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid has a molecular weight of 287.28 g/mol, XLogP of 1.28, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-ethyl-5-methyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidin-3-yl)pyrazole-1-carboxylic acid is sourced from PubChem (CID 175325173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).