9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole

C13H7ClN4O2 — CID 71723445

IUPAC9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole
SMILESO=[N+]([O-])c1cc2[nH][nH]cc2c2c1nc1ccc(Cl)cc12
InChIInChI=1S/C13H7ClN4O2/c14-6-1-2-9-7(3-6)12-8-5-15-17-10(8)4-11(18(19)20)13(12)16-9/h1-5,15,17H
InChIKeyGFCRIHVISJBYKW-UHFFFAOYSA-N
MW286.68 g/mol
LogP3.76
Rot. Bonds1

About 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole

9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole (PubChem CID 71723445) has the molecular formula C13H7ClN4O2 and a molecular weight of 286.68 g/mol. Its IUPAC name is 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole.

Molecular Properties

Compound Name9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole
PubChem CID71723445
Molecular FormulaC13H7ClN4O2
Molecular Weight286.68 g/mol
Exact Mass286.03
IUPAC Name9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole
SMILESO=[N+]([O-])c1cc2[nH][nH]cc2c2c1nc1ccc(Cl)cc12
InChIInChI=1S/C13H7ClN4O2/c14-6-1-2-9-7(3-6)12-8-5-15-17-10(8)4-11(18(19)20)13(12)16-9/h1-5,15,17H
InChIKeyGFCRIHVISJBYKW-UHFFFAOYSA-N
XLogP3.76
TPSA87.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.68
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole?
The IUPAC name of 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole (CID 71723445) is 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole.
What is the SMILES notation for 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole?
The canonical SMILES for 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole is O=[N+]([O-])c1cc2[nH][nH]cc2c2c1nc1ccc(Cl)cc12.
What is the InChIKey of 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole?
The InChIKey is GFCRIHVISJBYKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7ClN4O2/c14-6-1-2-9-7(3-6)12-8-5-15-17-10(8)4-11(18(19)20)13(12)16-9/h1-5,15,17H.
What are the key properties of 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole?
9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole has a molecular weight of 286.68 g/mol, XLogP of 3.76, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-chloro-5-nitro-2,3-dihydropyrazolo[3,4-c]carbazole is sourced from PubChem (CID 71723445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).