7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole

C10H7N3O3 — CID 134578189

IUPAC7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole
SMILESO=[N+]([O-])c1ccc2c(c1)OCc1[nH]ncc1-2
InChIInChI=1S/C10H7N3O3/c14-13(15)6-1-2-7-8-4-11-12-9(8)5-16-10(7)3-6/h1-4H,5H2,(H,11,12)
InChIKeyBXYKZHXSBKEAAM-UHFFFAOYSA-N
MW217.18 g/mol
LogP1.88
Rot. Bonds1

About 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole

7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole (PubChem CID 134578189) has the molecular formula C10H7N3O3 and a molecular weight of 217.18 g/mol. Its IUPAC name is 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole.

Molecular Properties

Compound Name7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole
PubChem CID134578189
Molecular FormulaC10H7N3O3
Molecular Weight217.18 g/mol
Exact Mass217.05
IUPAC Name7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole
SMILESO=[N+]([O-])c1ccc2c(c1)OCc1[nH]ncc1-2
InChIInChI=1S/C10H7N3O3/c14-13(15)6-1-2-7-8-4-11-12-9(8)5-16-10(7)3-6/h1-4H,5H2,(H,11,12)
InChIKeyBXYKZHXSBKEAAM-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
Pyrazolyl chromane
CID 129814794
1h-Indazole,4-(2-fluoro-4-nitrophenoxy)-
CID 17979311
4-(5-fluoro-2-methoxy-4-nitrophenyl)-1H-pyrazole
CID 58310664
4-(5-fluoro-2-methoxy-4-nitrosophenyl)-1H-pyrazole
CID 88937057
(7-amino-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112374
(7-nitro-4H-chromeno[3,4-c]pyrazol-2-yl) thiohypofluorite
CID 155112470
4-Pyrazolylchroman
CID 129877764
5-[(4-Nitrophenyl)methoxy]-1h-indazole
CID 169488893
5-(2-methoxy-5-nitrophenyl)-1H-pyrazole
CID 2819980
3-[4-(4-nitrophenoxy)phenyl]-1H-pyrazole
CID 2806183
5-[2-(4-nitrophenoxy)phenyl]-1H-pyrazole
CID 22718102

Frequently Asked Questions

What is the IUPAC name of 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole?
The IUPAC name of 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole (CID 134578189) is 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole.
What is the SMILES notation for 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole?
The canonical SMILES for 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole is O=[N+]([O-])c1ccc2c(c1)OCc1[nH]ncc1-2.
What is the InChIKey of 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole?
The InChIKey is BXYKZHXSBKEAAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3O3/c14-13(15)6-1-2-7-8-4-11-12-9(8)5-16-10(7)3-6/h1-4H,5H2,(H,11,12).
What are the key properties of 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole?
7-nitro-3,4-dihydrochromeno[4,3-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 7-nitro-3,4-dihydrochromeno[4,3-d]pyrazole is sourced from PubChem (CID 134578189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).