6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole

C10H7N5O3 — CID 11086031

IUPAC6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole
SMILESCc1nn(-c2cccc([N+](=O)[O-])c2)c2nonc12
InChIInChI=1S/C10H7N5O3/c1-6-9-10(13-18-12-9)14(11-6)7-3-2-4-8(5-7)15(16)17/h2-5H,1H3
InChIKeyVKUJEBVOZZBCFK-UHFFFAOYSA-N
MW245.20 g/mol
LogP1.63
Rot. Bonds2

About 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole

6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole (PubChem CID 11086031) has the molecular formula C10H7N5O3 and a molecular weight of 245.20 g/mol. Its IUPAC name is 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole.

Molecular Properties

Compound Name6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole
PubChem CID11086031
Molecular FormulaC10H7N5O3
Molecular Weight245.20 g/mol
Exact Mass245.05
IUPAC Name6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole
SMILESCc1nn(-c2cccc([N+](=O)[O-])c2)c2nonc12
InChIInChI=1S/C10H7N5O3/c1-6-9-10(13-18-12-9)14(11-6)7-3-2-4-8(5-7)15(16)17/h2-5H,1H3
InChIKeyVKUJEBVOZZBCFK-UHFFFAOYSA-N
XLogP1.63
TPSA99.88 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.20
LogP ≤ 51.63
H-Bond Donors ≤ 50
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

5-chloro-4-ethyl-3-methyl-1-(3-nitrophenyl)pyrazole
CID 66020540
4-methoxy-3-methyl-1-(3-nitrophenyl)pyrazolo[3,4-b]quinoline
CID 124925417
5-methyl-2-(3-nitrophenyl)-1,2,4-triazol-3-amine
CID 62679220
(4Z)-4-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-2-methyl-1,3-oxazol-5-one
CID 126007769
4-cyano-3-methyl-1-(3-nitrophenyl)pyrazole-5-sulfonamide
CID 116647241
(2-hydroxyphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223049
3-methyl-1-(3-nitrophenyl)-4,5,6,7-tetrahydroindazol-4-amine
CID 82592611
3-(2,2-dimethylpropyl)-1-(3-nitrophenyl)pyrazol-5-amine
CID 61210624
(4Z)-4-[[3,5-dimethyl-1-(3-nitrophenyl)pyrazol-4-yl]methylidene]-2-ethyl-1,3-oxazol-5-one
CID 126006451
4-chloro-5-methyl-1-(3-nitrophenyl)pyrazole-3-carboxylic acid
CID 55037989
1-methyl-3-nitrobenzene
CID 7422
(2-hydroxy-5-methylphenyl)-[3-methyl-1-(3-nitrophenyl)pyrazolo[5,4-b]pyridin-5-yl]methanone
CID 139223051

Frequently Asked Questions

What is the IUPAC name of 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole?
The IUPAC name of 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole (CID 11086031) is 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole.
What is the SMILES notation for 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole?
The canonical SMILES for 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole is Cc1nn(-c2cccc([N+](=O)[O-])c2)c2nonc12.
What is the InChIKey of 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole?
The InChIKey is VKUJEBVOZZBCFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N5O3/c1-6-9-10(13-18-12-9)14(11-6)7-3-2-4-8(5-7)15(16)17/h2-5H,1H3.
What are the key properties of 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole?
6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole has a molecular weight of 245.20 g/mol, XLogP of 1.63, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4-(3-nitrophenyl)pyrazolo[3,4-c][1,2,5]oxadiazole is sourced from PubChem (CID 11086031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).