3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole

C10H9N5O2 — CID 14185409

IUPAC3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole
SMILESCc1[nH]nc2c([N+](=O)[O-])c3[nH]nc(C)c3cc12
InChIInChI=1S/C10H9N5O2/c1-4-6-3-7-5(2)12-14-9(7)10(15(16)17)8(6)13-11-4/h3H,1-2H3,(H,11,13)(H,12,14)
InChIKeySJGRLFUUACZQRA-UHFFFAOYSA-N
MW231.22 g/mol
LogP1.96
Rot. Bonds1

About 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole

3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole (PubChem CID 14185409) has the molecular formula C10H9N5O2 and a molecular weight of 231.22 g/mol. Its IUPAC name is 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole.

Molecular Properties

Compound Name3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole
PubChem CID14185409
Molecular FormulaC10H9N5O2
Molecular Weight231.22 g/mol
Exact Mass231.08
IUPAC Name3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole
SMILESCc1[nH]nc2c([N+](=O)[O-])c3[nH]nc(C)c3cc12
InChIInChI=1S/C10H9N5O2/c1-4-6-3-7-5(2)12-14-9(7)10(15(16)17)8(6)13-11-4/h3H,1-2H3,(H,11,13)(H,12,14)
InChIKeySJGRLFUUACZQRA-UHFFFAOYSA-N
XLogP1.96
TPSA100.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.22
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole?
The IUPAC name of 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole (CID 14185409) is 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole.
What is the SMILES notation for 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole?
The canonical SMILES for 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole is Cc1[nH]nc2c([N+](=O)[O-])c3[nH]nc(C)c3cc12.
What is the InChIKey of 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole?
The InChIKey is SJGRLFUUACZQRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5O2/c1-4-6-3-7-5(2)12-14-9(7)10(15(16)17)8(6)13-11-4/h3H,1-2H3,(H,11,13)(H,12,14).
What are the key properties of 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole?
3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole has a molecular weight of 231.22 g/mol, XLogP of 1.96, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-8-nitro-1,6-dihydropyrazolo[4,3-f]indazole is sourced from PubChem (CID 14185409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).