4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine

C10H16N4O3 — CID 23852668

IUPAC4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
SMILESCn1cc(CCN2CCOCC2)c([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O3/c1-12-8-9(10(11-12)14(15)16)2-3-13-4-6-17-7-5-13/h8H,2-7H2,1H3
InChIKeyBQMUCVXMNCTCFM-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.20
Rot. Bonds4

About 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine

4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine (PubChem CID 23852668) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine.

Molecular Properties

Compound Name4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
PubChem CID23852668
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Name4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine
SMILESCn1cc(CCN2CCOCC2)c([N+](=O)[O-])n1
InChIInChI=1S/C10H16N4O3/c1-12-8-9(10(11-12)14(15)16)2-3-13-4-6-17-7-5-13/h8H,2-7H2,1H3
InChIKeyBQMUCVXMNCTCFM-UHFFFAOYSA-N
XLogP0.20
TPSA73.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.20
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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Related Compounds

4-[2-(4-bromo-3-nitropyrazol-1-yl)ethyl]morpholine
CID 61175863
1-methyl-N-(3-morpholin-4-ylpropyl)-4-nitropyrazol-3-amine
CID 103079679
4-[2-(2-fluoro-5-nitro-4-piperidin-1-ylphenyl)ethyl]morpholine
CID 137370781
1-methyl-3-(2-morpholin-4-ylethyl)pyrazole-4-carbaldehyde
CID 96605707
4-[(1,3-dimethylpyrazol-4-yl)methyl]morpholine
CID 126855039
4-[3-[5-[(4-chloro-3-nitropyrazol-1-yl)methyl]furan-2-yl]propyl]morpholine
CID 170871258
4-(2-nitroethyl)morpholine
CID 66731033
4-(diethoxyphosphorylmethyl)-1-methyl-3-nitropyrazole
CID 139016430
3-[(1-methyl-4-nitropyrazol-3-yl)amino]-1-morpholin-4-ylpropan-1-one
CID 103080086
4-[2-(6-nitroindazol-2-yl)ethyl]morpholine
CID 66712456
4-[2-(5-nitroindazol-2-yl)ethyl]morpholine
CID 23936574
4-[3-methyl-3-(4-nitropyrazol-1-yl)butyl]morpholine
CID 163737316

Frequently Asked Questions

What is the IUPAC name of 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine?
The IUPAC name of 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine (CID 23852668) is 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine.
What is the SMILES notation for 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine?
The canonical SMILES for 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine is Cn1cc(CCN2CCOCC2)c([N+](=O)[O-])n1.
What is the InChIKey of 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine?
The InChIKey is BQMUCVXMNCTCFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-12-8-9(10(11-12)14(15)16)2-3-13-4-6-17-7-5-13/h8H,2-7H2,1H3.
What are the key properties of 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine?
4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine has a molecular weight of 240.26 g/mol, XLogP of 0.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(1-methyl-3-nitropyrazol-4-yl)ethyl]morpholine is sourced from PubChem (CID 23852668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).