1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide

C16H16N6O2 — CID 135403045

IUPAC1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide
SMILESCOc1ccc(-n2nc(C(=O)NN)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H16N6O2/c1-24-10-4-2-9(3-5-10)22-15-11(14(21-22)16(23)19-17)6-7-13-12(15)8-18-20-13/h2-5,8H,6-7,17H2,1H3,(H,18,20)(H,19,23)
InChIKeyMZSMIVBLQXHTFG-UHFFFAOYSA-N
MW324.34 g/mol
LogP0.97
Rot. Bonds3

About 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide

1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide (PubChem CID 135403045) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide
PubChem CID135403045
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide
SMILESCOc1ccc(-n2nc(C(=O)NN)c3c2-c2cn[nH]c2CC3)cc1
InChIInChI=1S/C16H16N6O2/c1-24-10-4-2-9(3-5-10)22-15-11(14(21-22)16(23)19-17)6-7-13-12(15)8-18-20-13/h2-5,8H,6-7,17H2,1H3,(H,18,20)(H,19,23)
InChIKeyMZSMIVBLQXHTFG-UHFFFAOYSA-N
XLogP0.97
TPSA110.85 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 50.97
H-Bond Donors ≤ 53
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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Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide?
The IUPAC name of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide (CID 135403045) is 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide.
What is the SMILES notation for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide?
The canonical SMILES for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide is COc1ccc(-n2nc(C(=O)NN)c3c2-c2cn[nH]c2CC3)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide?
The InChIKey is MZSMIVBLQXHTFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-24-10-4-2-9(3-5-10)22-15-11(14(21-22)16(23)19-17)6-7-13-12(15)8-18-20-13/h2-5,8H,6-7,17H2,1H3,(H,18,20)(H,19,23).
What are the key properties of 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide?
1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide has a molecular weight of 324.34 g/mol, XLogP of 0.97, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-5,6-dihydro-4H-pyrazolo[5,4-e]indazole-3-carbohydrazide is sourced from PubChem (CID 135403045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).