1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one

C10H14N4O4 — CID 4916125

IUPAC1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H14N4O4/c1-8(10(15)12-2-4-18-5-3-12)13-7-9(6-11-13)14(16)17/h6-8H,2-5H2,1H3
InChIKeyPKNVTHXTTAZHSU-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.21
Rot. Bonds3

About 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one

1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one (PubChem CID 4916125) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one
PubChem CID4916125
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one
SMILESCC(C(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1
InChIInChI=1S/C10H14N4O4/c1-8(10(15)12-2-4-18-5-3-12)13-7-9(6-11-13)14(16)17/h6-8H,2-5H2,1H3
InChIKeyPKNVTHXTTAZHSU-UHFFFAOYSA-N
XLogP0.21
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.21
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 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one?
The IUPAC name of 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one (CID 4916125) is 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one is CC(C(=O)N1CCOCC1)n1cc([N+](=O)[O-])cn1.
What is the InChIKey of 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one?
The InChIKey is PKNVTHXTTAZHSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-8(10(15)12-2-4-18-5-3-12)13-7-9(6-11-13)14(16)17/h6-8H,2-5H2,1H3.
What are the key properties of 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one?
1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one has a molecular weight of 254.25 g/mol, XLogP of 0.21, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-morpholin-4-yl-2-(4-nitropyrazol-1-yl)propan-1-one is sourced from PubChem (CID 4916125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).