4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid

C13H11N5O3 — CID 102974051

IUPAC4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCc1cc2c(=O)n(Cc3ncncc3C(=O)O)ccn2n1
InChIInChI=1S/C13H11N5O3/c1-8-4-11-12(19)17(2-3-18(11)16-8)6-10-9(13(20)21)5-14-7-15-10/h2-5,7H,6H2,1H3,(H,20,21)
InChIKeyJOULLQHOALMGSI-UHFFFAOYSA-N
MW285.26 g/mol
LogP0.34
Rot. Bonds3

About 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid

4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid (PubChem CID 102974051) has the molecular formula C13H11N5O3 and a molecular weight of 285.26 g/mol. Its IUPAC name is 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid
PubChem CID102974051
Molecular FormulaC13H11N5O3
Molecular Weight285.26 g/mol
Exact Mass285.09
IUPAC Name4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid
SMILESCc1cc2c(=O)n(Cc3ncncc3C(=O)O)ccn2n1
InChIInChI=1S/C13H11N5O3/c1-8-4-11-12(19)17(2-3-18(11)16-8)6-10-9(13(20)21)5-14-7-15-10/h2-5,7H,6H2,1H3,(H,20,21)
InChIKeyJOULLQHOALMGSI-UHFFFAOYSA-N
XLogP0.34
TPSA102.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.26
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid (CID 102974051) is 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid is Cc1cc2c(=O)n(Cc3ncncc3C(=O)O)ccn2n1.
What is the InChIKey of 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid?
The InChIKey is JOULLQHOALMGSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O3/c1-8-4-11-12(19)17(2-3-18(11)16-8)6-10-9(13(20)21)5-14-7-15-10/h2-5,7H,6H2,1H3,(H,20,21).
What are the key properties of 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid?
4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid has a molecular weight of 285.26 g/mol, XLogP of 0.34, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102974051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).