3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid

C14H12N4O3 — CID 104735524

IUPAC3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(=O)n(Cc3cccnc3C(=O)O)ccn2n1
InChIInChI=1S/C14H12N4O3/c1-9-7-11-13(19)17(5-6-18(11)16-9)8-10-3-2-4-15-12(10)14(20)21/h2-7H,8H2,1H3,(H,20,21)
InChIKeyAQMZZIHMMAXYRY-UHFFFAOYSA-N
MW284.28 g/mol
LogP0.95
Rot. Bonds3

About 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid

3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid (PubChem CID 104735524) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid.

Molecular Properties

Compound Name3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid
PubChem CID104735524
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid
SMILESCc1cc2c(=O)n(Cc3cccnc3C(=O)O)ccn2n1
InChIInChI=1S/C14H12N4O3/c1-9-7-11-13(19)17(5-6-18(11)16-9)8-10-3-2-4-15-12(10)14(20)21/h2-7H,8H2,1H3,(H,20,21)
InChIKeyAQMZZIHMMAXYRY-UHFFFAOYSA-N
XLogP0.95
TPSA89.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[(2-hydrazinyl-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446794
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]furan-2-carboxylic acid
CID 104734630
4-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974051
5-[(2-amino-4-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104735319
2,2-dimethyl-3-(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)propanoic acid
CID 104734666
5-[(4-bromophenyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446776
5-[(6-chloro-3-pyridinyl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734892
2-amino-6-[(4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]benzoic acid
CID 104825110
5-[[3-(aminomethyl)-4-fluorophenyl]methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 107878865
5-(5-chloropentyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104734713
5-(2-cyclopentyl-2-oxoethyl)-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 104751672
5-[(2-chloro-1,3-thiazol-5-yl)methyl]-2-methylpyrazolo[1,5-a]pyrazin-4-one
CID 113446741

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid?
The IUPAC name of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid (CID 104735524) is 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid.
What is the SMILES notation for 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid?
The canonical SMILES for 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid is Cc1cc2c(=O)n(Cc3cccnc3C(=O)O)ccn2n1.
What is the InChIKey of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid?
The InChIKey is AQMZZIHMMAXYRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-9-7-11-13(19)17(5-6-18(11)16-9)8-10-3-2-4-15-12(10)14(20)21/h2-7H,8H2,1H3,(H,20,21).
What are the key properties of 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid?
3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid has a molecular weight of 284.28 g/mol, XLogP of 0.95, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methyl-4-oxopyrazolo[1,5-a]pyrazin-5-yl)methyl]pyridine-2-carboxylic acid is sourced from PubChem (CID 104735524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).