6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole

C10H7N3O3 — CID 171626555

IUPAC6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESO=[N+]([O-])c1cccc2c1OCc1cn[nH]c1-2
InChIInChI=1S/C10H7N3O3/c14-13(15)8-3-1-2-7-9-6(4-11-12-9)5-16-10(7)8/h1-4H,5H2,(H,11,12)
InChIKeyACRGMTDCSCDKDC-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.88
Rot. Bonds1

About 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole

6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole (PubChem CID 171626555) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole.

Molecular Properties

Compound Name6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole
PubChem CID171626555
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole
SMILESO=[N+]([O-])c1cccc2c1OCc1cn[nH]c1-2
InChIInChI=1S/C10H7N3O3/c14-13(15)8-3-1-2-7-9-6(4-11-12-9)5-16-10(7)8/h1-4H,5H2,(H,11,12)
InChIKeyACRGMTDCSCDKDC-UHFFFAOYSA-N
XLogP1.88
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
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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Related Compounds

2,4-Dihydrochromeno[4,3-c]pyrazole
CID 3785748
4-methoxy-5-nitro-1H-indazole
CID 71758449
(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112470
5-[3-nitro-2-(2,2,2-trifluoroethoxy)phenyl]-1H-pyrazole
CID 163387721
5-[3-nitro-2-(1,2,2-trifluoroethoxy)phenyl]-1H-pyrazole
CID 175427891
4-Phenyl-1,4-dihydrochromeno[4,3-c]pyrazole
CID 133064961
8-Fluoro-2,4-dihydrochromeno[4,3-c]pyrazole
CID 44721384
4-[2-nitro-4-(trifluoromethyl)phenoxy]-1H-indazole
CID 47069033
5-(2-methoxy-5-nitrophenyl)-1H-pyrazole
CID 2819980
8-Methyl-1,4-dihydrochromeno[3,4-d]pyrazole
CID 15519356
5-[2-(4-nitrophenoxy)phenyl]-1H-pyrazole
CID 22718102
6-ethoxy-5-nitro-1H-indazole
CID 60150233

Frequently Asked Questions

What is the IUPAC name of 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole?
The IUPAC name of 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole (CID 171626555) is 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole.
What is the SMILES notation for 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole?
The canonical SMILES for 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole is O=[N+]([O-])c1cccc2c1OCc1cn[nH]c1-2.
What is the InChIKey of 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole?
The InChIKey is ACRGMTDCSCDKDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-13(15)8-3-1-2-7-9-6(4-11-12-9)5-16-10(7)8/h1-4H,5H2,(H,11,12).
What are the key properties of 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole?
6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole has a molecular weight of 217.18 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-nitro-1,4-dihydrochromeno[3,4-d]pyrazole is sourced from PubChem (CID 171626555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).