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

C14H12ClN3O3 — CID 1474570

IUPAC5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O
InChIInChI=1S/C14H12ClN3O3/c15-10-4-2-1-3-9(10)8-17-5-6-18-12(13(17)19)7-11(16-18)14(20)21/h1-4,7H,5-6,8H2,(H,20,21)
InChIKeyZZKFZXZEBKGYEJ-UHFFFAOYSA-N
MW305.72 g/mol
LogP1.89
Rot. Bonds3

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

5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (PubChem CID 1474570) has the molecular formula C14H12ClN3O3 and a molecular weight of 305.72 g/mol. Its IUPAC name is 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.

Molecular Properties

Compound Name5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
PubChem CID1474570
Molecular FormulaC14H12ClN3O3
Molecular Weight305.72 g/mol
Exact Mass305.06
IUPAC Name5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid
SMILESO=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O
InChIInChI=1S/C14H12ClN3O3/c15-10-4-2-1-3-9(10)8-17-5-6-18-12(13(17)19)7-11(16-18)14(20)21/h1-4,7H,5-6,8H2,(H,20,21)
InChIKeyZZKFZXZEBKGYEJ-UHFFFAOYSA-N
XLogP1.89
TPSA75.43 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.72
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 5-(4-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475682
1-[(2,4-dichlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid
CID 1249318
Methyl 5-(2-chlorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475684
1-[(2-chlorophenyl)methyl]pyrazole-3,5-dicarboxylic Acid
CID 2988840
Methyl 5-(4-methylbenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475678
Methyl 5-(2-fluorobenzyl)-4-oxo-4,5,6,7-tetrahydropyrazolo[1,5-a]pyrazine-2-carboxylate
CID 1475681
3-[(2-chloroanilino)carbonyl]-1-methyl-1H-pyrazole-5-carboxylic acid
CID 19580056
1-(4-Chlorobenzyl)-3-methyl-1H-pyrazole-5-carboxylic acid
CID 4328174
5-(2-chlorobenzyl)-2-(piperidinocarbonyl)-6,7-dihydropyrazolo[1,5-a]pyrazin-4(5H)-one
CID 46077472
Ethyl 5-[(4-chlorophenyl)methyl]-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260965
Ethyl 5-(3-chloro-4-methylphenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260970
Ethyl 5-(3-chloro-2-methylphenyl)-6-methyl-6-[(3-methylbutyl)carbamoyl]-4-oxo-4H,5H,6H,7H-pyrazolo[1,5-A]pyrazine-2-carboxylate
CID 46260990

Frequently Asked Questions

What is the IUPAC name of 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The IUPAC name of 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid (CID 1474570) is 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid.
What is the SMILES notation for 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The canonical SMILES for 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is O=C(O)c1cc2n(n1)CCN(Cc1ccccc1Cl)C2=O.
What is the InChIKey of 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
The InChIKey is ZZKFZXZEBKGYEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClN3O3/c15-10-4-2-1-3-9(10)8-17-5-6-18-12(13(17)19)7-11(16-18)14(20)21/h1-4,7H,5-6,8H2,(H,20,21).
What are the key properties of 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid?
5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid has a molecular weight of 305.72 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-chlorophenyl)methyl]-4-oxo-6,7-dihydropyrazolo[1,5-a]pyrazine-2-carboxylic acid is sourced from PubChem (CID 1474570), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).