3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

C13H19N3O3 — CID 170172340

IUPAC3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1c(C(=O)O)nn2c1C(=O)N(CCC(C)C)CC2
InChIInChI=1S/C13H19N3O3/c1-8(2)4-5-15-6-7-16-11(12(15)17)9(3)10(14-16)13(18)19/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyRJXBOGVRQWEVTI-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.39
Rot. Bonds4

About 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid

3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 170172340) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID170172340
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESCc1c(C(=O)O)nn2c1C(=O)N(CCC(C)C)CC2
InChIInChI=1S/C13H19N3O3/c1-8(2)4-5-15-6-7-16-11(12(15)17)9(3)10(14-16)13(18)19/h8H,4-7H2,1-3H3,(H,18,19)
InChIKeyRJXBOGVRQWEVTI-UHFFFAOYSA-N
XLogP1.39
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 170172340) is 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is Cc1c(C(=O)O)nn2c1C(=O)N(CCC(C)C)CC2.
What is the InChIKey of 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is RJXBOGVRQWEVTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)4-5-15-6-7-16-11(12(15)17)9(3)10(14-16)13(18)19/h8H,4-7H2,1-3H3,(H,18,19).
What are the key properties of 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.39, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-methylbutyl)-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 170172340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).