4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine

C8H12N4O3 — CID 19827688

IUPAC4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
SMILESCc1c(N2CCOCC2)n[nH]c1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-6-7(9-10-8(6)12(13)14)11-2-4-15-5-3-11/h2-5H2,1H3,(H,9,10)
InChIKeyLOAIBXXGYDMZHC-UHFFFAOYSA-N
MW212.21 g/mol
LogP0.46
Rot. Bonds2

About 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine

4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine (PubChem CID 19827688) has the molecular formula C8H12N4O3 and a molecular weight of 212.21 g/mol. Its IUPAC name is 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine.

Molecular Properties

Compound Name4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
PubChem CID19827688
Molecular FormulaC8H12N4O3
Molecular Weight212.21 g/mol
Exact Mass212.09
IUPAC Name4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine
SMILESCc1c(N2CCOCC2)n[nH]c1[N+](=O)[O-]
InChIInChI=1S/C8H12N4O3/c1-6-7(9-10-8(6)12(13)14)11-2-4-15-5-3-11/h2-5H2,1H3,(H,9,10)
InChIKeyLOAIBXXGYDMZHC-UHFFFAOYSA-N
XLogP0.46
TPSA84.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.21
LogP ≤ 50.46
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 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine?
The IUPAC name of 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine (CID 19827688) is 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine.
What is the SMILES notation for 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine?
The canonical SMILES for 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine is Cc1c(N2CCOCC2)n[nH]c1[N+](=O)[O-].
What is the InChIKey of 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine?
The InChIKey is LOAIBXXGYDMZHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O3/c1-6-7(9-10-8(6)12(13)14)11-2-4-15-5-3-11/h2-5H2,1H3,(H,9,10).
What are the key properties of 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine?
4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine has a molecular weight of 212.21 g/mol, XLogP of 0.46, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methyl-5-nitro-1H-pyrazol-3-yl)morpholine is sourced from PubChem (CID 19827688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).