3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

C16H11Cl2N3O3 — CID 152549900

IUPAC3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1C1CC1
InChIInChI=1S/C16H11Cl2N3O3/c17-9-4-3-8(5-10(9)18)11-6-21-14(15(22)19-11)12(7-1-2-7)13(20-21)16(23)24/h3-7H,1-2H2,(H,19,22)(H,23,24)
InChIKeyYNGREDJXWKTNOP-UHFFFAOYSA-N
MW364.19 g/mol
LogP3.57
Rot. Bonds3

About 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid

3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 152549900) has the molecular formula C16H11Cl2N3O3 and a molecular weight of 364.19 g/mol. Its IUPAC name is 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID152549900
Molecular FormulaC16H11Cl2N3O3
Molecular Weight364.19 g/mol
Exact Mass363.02
IUPAC Name3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1nn2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1C1CC1
InChIInChI=1S/C16H11Cl2N3O3/c17-9-4-3-8(5-10(9)18)11-6-21-14(15(22)19-11)12(7-1-2-7)13(20-21)16(23)24/h3-7H,1-2H2,(H,19,22)(H,23,24)
InChIKeyYNGREDJXWKTNOP-UHFFFAOYSA-N
XLogP3.57
TPSA87.46 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.19
LogP ≤ 53.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 152549900) is 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1nn2cc(-c3ccc(Cl)c(Cl)c3)[nH]c(=O)c2c1C1CC1.
What is the InChIKey of 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is YNGREDJXWKTNOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2N3O3/c17-9-4-3-8(5-10(9)18)11-6-21-14(15(22)19-11)12(7-1-2-7)13(20-21)16(23)24/h3-7H,1-2H2,(H,19,22)(H,23,24).
What are the key properties of 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid?
3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 364.19 g/mol, XLogP of 3.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-6-(3,4-dichlorophenyl)-4-oxo-5H-pyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 152549900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).