4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine

C11H18N4O3 — CID 51086777

IUPAC4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine
SMILESCc1nn(C)c(N2CCOC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-8-9(15(16)17)10(13(4)12-8)14-5-6-18-11(2,3)7-14/h5-7H2,1-4H3
InChIKeyDMJLVGOCKSQYPP-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.25
Rot. Bonds2

About 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine

4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine (PubChem CID 51086777) has the molecular formula C11H18N4O3 and a molecular weight of 254.29 g/mol. Its IUPAC name is 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine.

Molecular Properties

Compound Name4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine
PubChem CID51086777
Molecular FormulaC11H18N4O3
Molecular Weight254.29 g/mol
Exact Mass254.14
IUPAC Name4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine
SMILESCc1nn(C)c(N2CCOC(C)(C)C2)c1[N+](=O)[O-]
InChIInChI=1S/C11H18N4O3/c1-8-9(15(16)17)10(13(4)12-8)14-5-6-18-11(2,3)7-14/h5-7H2,1-4H3
InChIKeyDMJLVGOCKSQYPP-UHFFFAOYSA-N
XLogP1.25
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine?
The IUPAC name of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine (CID 51086777) is 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine.
What is the SMILES notation for 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine?
The canonical SMILES for 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine is Cc1nn(C)c(N2CCOC(C)(C)C2)c1[N+](=O)[O-].
What is the InChIKey of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine?
The InChIKey is DMJLVGOCKSQYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O3/c1-8-9(15(16)17)10(13(4)12-8)14-5-6-18-11(2,3)7-14/h5-7H2,1-4H3.
What are the key properties of 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine?
4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine has a molecular weight of 254.29 g/mol, XLogP of 1.25, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-dimethyl-4-nitropyrazol-5-yl)-2,2-dimethylmorpholine is sourced from PubChem (CID 51086777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).