4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine

C11H17ClN4O3 — CID 118280743

IUPAC4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(Cn1ncc([N+](=O)[O-])c1Cl)N1CCOCC1
InChIInChI=1S/C11H17ClN4O3/c1-11(2,14-3-5-19-6-4-14)8-15-10(12)9(7-13-15)16(17)18/h7H,3-6,8H2,1-2H3
InChIKeyDQZIMXITEZWNIG-UHFFFAOYSA-N
MW288.73 g/mol
LogP1.56
Rot. Bonds4

About 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine

4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine (PubChem CID 118280743) has the molecular formula C11H17ClN4O3 and a molecular weight of 288.73 g/mol. Its IUPAC name is 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine.

Molecular Properties

Compound Name4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine
PubChem CID118280743
Molecular FormulaC11H17ClN4O3
Molecular Weight288.73 g/mol
Exact Mass288.10
IUPAC Name4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine
SMILESCC(C)(Cn1ncc([N+](=O)[O-])c1Cl)N1CCOCC1
InChIInChI=1S/C11H17ClN4O3/c1-11(2,14-3-5-19-6-4-14)8-15-10(12)9(7-13-15)16(17)18/h7H,3-6,8H2,1-2H3
InChIKeyDQZIMXITEZWNIG-UHFFFAOYSA-N
XLogP1.56
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.73
LogP ≤ 51.56
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-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine?
The IUPAC name of 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine (CID 118280743) is 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine.
What is the SMILES notation for 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine?
The canonical SMILES for 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine is CC(C)(Cn1ncc([N+](=O)[O-])c1Cl)N1CCOCC1.
What is the InChIKey of 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine?
The InChIKey is DQZIMXITEZWNIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17ClN4O3/c1-11(2,14-3-5-19-6-4-14)8-15-10(12)9(7-13-15)16(17)18/h7H,3-6,8H2,1-2H3.
What are the key properties of 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine?
4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine has a molecular weight of 288.73 g/mol, XLogP of 1.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chloro-4-nitropyrazol-1-yl)-2-methylpropan-2-yl]morpholine is sourced from PubChem (CID 118280743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).