2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine

C15H19N5O3 — CID 122139237

IUPAC2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCCn1cc(C2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)cn1
InChIInChI=1S/C15H19N5O3/c1-3-19-9-12(7-17-19)14-10-18(4-5-23-14)15-11(2)6-13(8-16-15)20(21)22/h6-9,14H,3-5,10H2,1-2H3
InChIKeyULRUKYLUROYQTM-UHFFFAOYSA-N
MW317.35 g/mol
LogP2.09
Rot. Bonds4

About 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine

2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine (PubChem CID 122139237) has the molecular formula C15H19N5O3 and a molecular weight of 317.35 g/mol. Its IUPAC name is 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine.

Molecular Properties

Compound Name2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine
PubChem CID122139237
Molecular FormulaC15H19N5O3
Molecular Weight317.35 g/mol
Exact Mass317.15
IUPAC Name2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine
SMILESCCn1cc(C2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)cn1
InChIInChI=1S/C15H19N5O3/c1-3-19-9-12(7-17-19)14-10-18(4-5-23-14)15-11(2)6-13(8-16-15)20(21)22/h6-9,14H,3-5,10H2,1-2H3
InChIKeyULRUKYLUROYQTM-UHFFFAOYSA-N
XLogP2.09
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
The IUPAC name of 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine (CID 122139237) is 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine.
What is the SMILES notation for 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
The canonical SMILES for 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine is CCn1cc(C2CN(c3ncc([N+](=O)[O-])cc3C)CCO2)cn1.
What is the InChIKey of 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
The InChIKey is ULRUKYLUROYQTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O3/c1-3-19-9-12(7-17-19)14-10-18(4-5-23-14)15-11(2)6-13(8-16-15)20(21)22/h6-9,14H,3-5,10H2,1-2H3.
What are the key properties of 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine?
2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine has a molecular weight of 317.35 g/mol, XLogP of 2.09, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-ethylpyrazol-4-yl)-4-(3-methyl-5-nitro-2-pyridinyl)morpholine is sourced from PubChem (CID 122139237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).