morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone

C8H10N4O4 — CID 754580

IUPACmorpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone
SMILESO=C(c1[nH]ncc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C8H10N4O4/c13-8(11-1-3-16-4-2-11)7-6(12(14)15)5-9-10-7/h5H,1-4H2,(H,9,10)
InChIKeyBDGUBBIJHWFIRT-UHFFFAOYSA-N
MW226.19 g/mol
LogP-0.21
Rot. Bonds2

About morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone

morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone (PubChem CID 754580) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone.

Molecular Properties

Compound Namemorpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone
PubChem CID754580
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Namemorpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone
SMILESO=C(c1[nH]ncc1[N+](=O)[O-])N1CCOCC1
InChIInChI=1S/C8H10N4O4/c13-8(11-1-3-16-4-2-11)7-6(12(14)15)5-9-10-7/h5H,1-4H2,(H,9,10)
InChIKeyBDGUBBIJHWFIRT-UHFFFAOYSA-N
XLogP-0.21
TPSA101.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 5-0.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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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Frequently Asked Questions

What is the IUPAC name of morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone?
The IUPAC name of morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone (CID 754580) is morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone.
What is the SMILES notation for morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone?
The canonical SMILES for morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone is O=C(c1[nH]ncc1[N+](=O)[O-])N1CCOCC1.
What is the InChIKey of morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone?
The InChIKey is BDGUBBIJHWFIRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-8(11-1-3-16-4-2-11)7-6(12(14)15)5-9-10-7/h5H,1-4H2,(H,9,10).
What are the key properties of morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone?
morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone has a molecular weight of 226.19 g/mol, XLogP of -0.21, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for morpholin-4-yl-(4-nitro-1H-pyrazol-5-yl)methanone is sourced from PubChem (CID 754580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).