ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine

C17H22N6O3 — CID 177037759

IUPACethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine
SMILESCC.Cc1[nH]nc2cc(-c3nn(C4CCCCO4)cc3[N+](=O)[O-])ncc12
InChIInChI=1S/C15H16N6O3.C2H6/c1-9-10-7-16-12(6-11(10)18-17-9)15-13(21(22)23)8-20(19-15)14-4-2-3-5-24-14;1-2/h6-8,14H,2-5H2,1H3,(H,17,18);1-2H3
InChIKeyHVGUFENPXWUZKX-UHFFFAOYSA-N
MW358.40 g/mol
LogP3.76
Rot. Bonds3

About ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine

ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine (PubChem CID 177037759) has the molecular formula C17H22N6O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine.

Molecular Properties

Compound Nameethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine
PubChem CID177037759
Molecular FormulaC17H22N6O3
Molecular Weight358.40 g/mol
Exact Mass358.18
IUPAC Nameethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine
SMILESCC.Cc1[nH]nc2cc(-c3nn(C4CCCCO4)cc3[N+](=O)[O-])ncc12
InChIInChI=1S/C15H16N6O3.C2H6/c1-9-10-7-16-12(6-11(10)18-17-9)15-13(21(22)23)8-20(19-15)14-4-2-3-5-24-14;1-2/h6-8,14H,2-5H2,1H3,(H,17,18);1-2H3
InChIKeyHVGUFENPXWUZKX-UHFFFAOYSA-N
XLogP3.76
TPSA111.76 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

3-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126505510
2-[6-ethyl-2-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-3H-benzimidazol-5-yl]ethanol
CID 136609057
[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]methyl methanesulfonate
CID 154618936
1-[5-nitro-2-(oxan-2-yl)indazol-6-yl]ethane-1,1-diol
CID 176862157
3-chloro-4-nitro-1-(oxan-2-yl)pyrazole;5-chloro-4-nitro-1H-pyrazole;3,4-dihydro-2H-pyran
CID 167698127
4-nitro-1-(oxan-2-yl)imidazole
CID 170352371
4-nitro-1-[(2R)-oxan-2-yl]-N-[1-[(2S)-oxan-2-yl]piperidin-4-yl]pyrazole-3-carboxamide
CID 99908932
4-nitro-1-[(2S)-oxan-2-yl]-N-[1-[(2R)-oxan-2-yl]piperidin-4-yl]pyrazole-3-carboxamide
CID 99908933
5-chloro-4-nitro-1-(oxan-2-yl)pyrazole
CID 90010622
4-[3-(3-methoxy-2,5-dimethylphenyl)-1-(oxan-2-yl)pyrazol-4-yl]pyrimidine
CID 68840137
5-ethyl-4-nitro-1-(oxan-2-yl)pyrazole
CID 126503350
5-bromo-4-methyl-2-[(2S)-oxan-2-yl]indazole
CID 97052372

Frequently Asked Questions

What is the IUPAC name of ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine?
The IUPAC name of ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine (CID 177037759) is ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine.
What is the SMILES notation for ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine?
The canonical SMILES for ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine is CC.Cc1[nH]nc2cc(-c3nn(C4CCCCO4)cc3[N+](=O)[O-])ncc12.
What is the InChIKey of ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine?
The InChIKey is HVGUFENPXWUZKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O3.C2H6/c1-9-10-7-16-12(6-11(10)18-17-9)15-13(21(22)23)8-20(19-15)14-4-2-3-5-24-14;1-2/h6-8,14H,2-5H2,1H3,(H,17,18);1-2H3.
What are the key properties of ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine?
ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine has a molecular weight of 358.40 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-methyl-6-[4-nitro-1-(oxan-2-yl)pyrazol-3-yl]-2H-pyrazolo[4,3-c]pyridine is sourced from PubChem (CID 177037759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).