(1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone

C10H14N4O4 — CID 844560

IUPAC(1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCCn1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)n1
InChIInChI=1S/C10H14N4O4/c1-2-13-7-8(14(16)17)9(11-13)10(15)12-3-5-18-6-4-12/h7H,2-6H2,1H3
InChIKeyKLXCQNFVSDVLRC-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.28
Rot. Bonds3

About (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone

(1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone (PubChem CID 844560) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone
PubChem CID844560
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone
SMILESCCn1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)n1
InChIInChI=1S/C10H14N4O4/c1-2-13-7-8(14(16)17)9(11-13)10(15)12-3-5-18-6-4-12/h7H,2-6H2,1H3
InChIKeyKLXCQNFVSDVLRC-UHFFFAOYSA-N
XLogP0.28
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 ≤ 50.28
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-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone (CID 844560) is (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone is CCn1cc([N+](=O)[O-])c(C(=O)N2CCOCC2)n1.
What is the InChIKey of (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone?
The InChIKey is KLXCQNFVSDVLRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-2-13-7-8(14(16)17)9(11-13)10(15)12-3-5-18-6-4-12/h7H,2-6H2,1H3.
What are the key properties of (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone?
(1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone has a molecular weight of 254.25 g/mol, XLogP of 0.28, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-nitropyrazol-3-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 844560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).