5-[(2-nitrophenyl)methoxy]-1H-pyrazole

C10H9N3O3 — CID 53348295

IUPAC5-[(2-nitrophenyl)methoxy]-1H-pyrazole
SMILESO=[N+]([O-])c1ccccc1COc1ccn[nH]1
InChIInChI=1S/C10H9N3O3/c14-13(15)9-4-2-1-3-8(9)7-16-10-5-6-11-12-10/h1-6H,7H2,(H,11,12)
InChIKeyXDMVYZYVOBMSJV-UHFFFAOYSA-N
MW219.20 g/mol
LogP1.90
Rot. Bonds4

About 5-[(2-nitrophenyl)methoxy]-1H-pyrazole

5-[(2-nitrophenyl)methoxy]-1H-pyrazole (PubChem CID 53348295) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 5-[(2-nitrophenyl)methoxy]-1H-pyrazole.

Molecular Properties

Compound Name5-[(2-nitrophenyl)methoxy]-1H-pyrazole
PubChem CID53348295
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name5-[(2-nitrophenyl)methoxy]-1H-pyrazole
SMILESO=[N+]([O-])c1ccccc1COc1ccn[nH]1
InChIInChI=1S/C10H9N3O3/c14-13(15)9-4-2-1-3-8(9)7-16-10-5-6-11-12-10/h1-6H,7H2,(H,11,12)
InChIKeyXDMVYZYVOBMSJV-UHFFFAOYSA-N
XLogP1.90
TPSA81.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 51.90
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

1,2,3-tris[(2-nitrophenyl)methoxy]benzene
CID 139940652
O-[(2-nitrophenyl)methyl]hydroxylamine
CID 2763494
1,3-dimethyl-5-[(2-nitrophenyl)methoxy]benzene
CID 60627121
5-[(2-nitrophenyl)methyl]-1H-1,2,4-triazole
CID 23317335
(2-nitrophenyl)methoxymethanamine
CID 175012109
bis[(2-nitrophenyl)methoxy]-diphenylsilane
CID 22342274
2-[2-[(2-nitrophenyl)methoxy]phenoxy]acetaldehyde
CID 11500210
4-[(2-nitrophenyl)methoxy]benzonitrile
CID 24702711
2-[2-[(2-nitrophenyl)methoxy]phenoxy]ethanol
CID 110891831
1-(2,2-dibromoethyl)-2-nitrobenzene
CID 3803942
(2-nitrophenyl)methyl sulfite
CID 89385987
(2-nitrophenyl)methyl carbamate
CID 21490181

Frequently Asked Questions

What is the IUPAC name of 5-[(2-nitrophenyl)methoxy]-1H-pyrazole?
The IUPAC name of 5-[(2-nitrophenyl)methoxy]-1H-pyrazole (CID 53348295) is 5-[(2-nitrophenyl)methoxy]-1H-pyrazole.
What is the SMILES notation for 5-[(2-nitrophenyl)methoxy]-1H-pyrazole?
The canonical SMILES for 5-[(2-nitrophenyl)methoxy]-1H-pyrazole is O=[N+]([O-])c1ccccc1COc1ccn[nH]1.
What is the InChIKey of 5-[(2-nitrophenyl)methoxy]-1H-pyrazole?
The InChIKey is XDMVYZYVOBMSJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c14-13(15)9-4-2-1-3-8(9)7-16-10-5-6-11-12-10/h1-6H,7H2,(H,11,12).
What are the key properties of 5-[(2-nitrophenyl)methoxy]-1H-pyrazole?
5-[(2-nitrophenyl)methoxy]-1H-pyrazole has a molecular weight of 219.20 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-nitrophenyl)methoxy]-1H-pyrazole is sourced from PubChem (CID 53348295), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).