1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide

C13H10Cl2N6O — CID 68913507

IUPAC1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide
SMILESNNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nccnc12
InChIInChI=1S/C13H10Cl2N6O/c14-8-2-1-7(9(15)5-8)6-21-12-10(17-3-4-18-12)11(20-21)13(22)19-16/h1-5H,6,16H2,(H,19,22)
InChIKeyJGBGGJAMMBZQLK-UHFFFAOYSA-N
MW337.17 g/mol
LogP1.78
Rot. Bonds3

About 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide

1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide (PubChem CID 68913507) has the molecular formula C13H10Cl2N6O and a molecular weight of 337.17 g/mol. Its IUPAC name is 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide.

Molecular Properties

Compound Name1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide
PubChem CID68913507
Molecular FormulaC13H10Cl2N6O
Molecular Weight337.17 g/mol
Exact Mass336.03
IUPAC Name1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide
SMILESNNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nccnc12
InChIInChI=1S/C13H10Cl2N6O/c14-8-2-1-7(9(15)5-8)6-21-12-10(17-3-4-18-12)11(20-21)13(22)19-16/h1-5H,6,16H2,(H,19,22)
InChIKeyJGBGGJAMMBZQLK-UHFFFAOYSA-N
XLogP1.78
TPSA98.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.17
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyl_hydrazine', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-[(4-chloro-2-fluorophenyl)methyl]pyrazolo[4,3-b]pyridine-3-carbohydrazide
CID 66889396
1-[(2,4-dichlorophenyl)methyl]pyrazolo[5,4-b]pyridine-3-carboxylic acid
CID 11638366
1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxamide
CID 11537039
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]propanehydrazide
CID 162374177
6-chloro-1-[(2,4-difluorophenyl)methyl]indazole-3-carbohydrazide
CID 11638599
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
methyl 6-chloro-1-[(2,4-dichlorophenyl)methyl]indazole-3-carboxylate
CID 66887924
5-amino-1-[(2,4-dichlorophenyl)methyl]triazole-4-carboxamide
CID 14662861
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methylpyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 55820641
3-[1-[(2,4-dichlorophenyl)methyl]indazol-3-yl]benzohydrazide
CID 162374180
1-[(4-chloro-2-fluorophenyl)methyl]-6-(trifluoromethyl)indazole-3-carbohydrazide
CID 66889166
5,7-dichloro-1-[(2-chloro-4-methylphenyl)methyl]-N-hydroxyindazole-3-carboxamide
CID 58796838

Frequently Asked Questions

What is the IUPAC name of 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide?
The IUPAC name of 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide (CID 68913507) is 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide.
What is the SMILES notation for 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide?
The canonical SMILES for 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide is NNC(=O)c1nn(Cc2ccc(Cl)cc2Cl)c2nccnc12.
What is the InChIKey of 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide?
The InChIKey is JGBGGJAMMBZQLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10Cl2N6O/c14-8-2-1-7(9(15)5-8)6-21-12-10(17-3-4-18-12)11(20-21)13(22)19-16/h1-5H,6,16H2,(H,19,22).
What are the key properties of 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide?
1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide has a molecular weight of 337.17 g/mol, XLogP of 1.78, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,4-dichlorophenyl)methyl]pyrazolo[3,4-b]pyrazine-3-carbohydrazide is sourced from PubChem (CID 68913507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).