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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Related Compounds

4-[(4-methyl-2,3-dioxopyrazin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102973959
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid
CID 104735524
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
CID 104734630
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446741
5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734892
5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735319
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
4-[(5-chloro-2-oxopyrimidin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974030
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446776
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
methyl 4-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)butanoate
CID 104734631

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).