(1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone

C10H14N4O4 — CID 5150771

IUPAC(1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nn(C)c(C(=O)N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-7-8(14(16)17)9(12(2)11-7)10(15)13-3-5-18-6-4-13/h3-6H2,1-2H3
InChIKeyIEPXXPDRASXTJK-UHFFFAOYSA-N
MW254.25 g/mol
LogP0.11
Rot. Bonds2

About (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone

(1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone (PubChem CID 5150771) has the molecular formula C10H14N4O4 and a molecular weight of 254.25 g/mol. Its IUPAC name is (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone
PubChem CID5150771
Molecular FormulaC10H14N4O4
Molecular Weight254.25 g/mol
Exact Mass254.10
IUPAC Name(1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone
SMILESCc1nn(C)c(C(=O)N2CCOCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H14N4O4/c1-7-8(14(16)17)9(12(2)11-7)10(15)13-3-5-18-6-4-13/h3-6H2,1-2H3
InChIKeyIEPXXPDRASXTJK-UHFFFAOYSA-N
XLogP0.11
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 50.11
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 (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone?
The IUPAC name of (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone (CID 5150771) is (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone is Cc1nn(C)c(C(=O)N2CCOCC2)c1[N+](=O)[O-].
What is the InChIKey of (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone?
The InChIKey is IEPXXPDRASXTJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O4/c1-7-8(14(16)17)9(12(2)11-7)10(15)13-3-5-18-6-4-13/h3-6H2,1-2H3.
What are the key properties of (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone?
(1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone has a molecular weight of 254.25 g/mol, XLogP of 0.11, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dimethyl-4-nitropyrazol-5-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 5150771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).