N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide

C11H17N5O4 — CID 19516114

IUPACN-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCOCC1
InChIInChI=1S/C11H17N5O4/c17-11(9-15-8-10(7-13-15)16(18)19)12-1-2-14-3-5-20-6-4-14/h7-8H,1-6,9H2,(H,12,17)
InChIKeyMRABUJGGXBBKTD-UHFFFAOYSA-N
MW283.29 g/mol
LogP-0.76
Rot. Bonds6

About N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide

N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide (PubChem CID 19516114) has the molecular formula C11H17N5O4 and a molecular weight of 283.29 g/mol. Its IUPAC name is N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
PubChem CID19516114
Molecular FormulaC11H17N5O4
Molecular Weight283.29 g/mol
Exact Mass283.13
IUPAC NameN-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
SMILESO=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCOCC1
InChIInChI=1S/C11H17N5O4/c17-11(9-15-8-10(7-13-15)16(18)19)12-1-2-14-3-5-20-6-4-14/h7-8H,1-6,9H2,(H,12,17)
InChIKeyMRABUJGGXBBKTD-UHFFFAOYSA-N
XLogP-0.76
TPSA102.53 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.29
LogP ≤ 5-0.76
H-Bond Donors ≤ 51
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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Related Compounds

2-(4-chloropyrazol-1-yl)-N-[2-(4-nitropyrazol-1-yl)ethyl]acetamide
CID 19281846
3-(4-nitropyrazol-1-yl)-N-(2-piperazin-1-ylethyl)propanamide;hydrochloride
CID 119446899
N-butyl-2-(4-nitropyrazol-1-yl)acetamide
CID 4599533
2-(4-methylpyrazol-1-yl)-N-(3-morpholin-4-ylpropyl)acetamide
CID 19526449
N-(3-morpholin-4-ylpropyl)-3-[(4-nitropyrazol-1-yl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 5303250
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
N-[4-(hydroxymethyl)oxan-4-yl]-2-(4-nitropyrazol-1-yl)acetamide
CID 104630428
N-hexyl-2-(4-nitropyrazol-1-yl)acetamide
CID 17088517
diethyl-[2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]ethyl]azanium
CID 7343395
2-[[2-(4-nitropyrazol-1-yl)acetyl]amino]acetamide
CID 60733166
3-(4-bromopyrazol-1-yl)-N-(2-morpholin-4-ylethyl)propanamide
CID 19561890
4-[3-methyl-3-(4-nitropyrazol-1-yl)butyl]morpholine
CID 163737316

Frequently Asked Questions

What is the IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The IUPAC name of N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide (CID 19516114) is N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide.
What is the SMILES notation for N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The canonical SMILES for N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide is O=C(Cn1cc([N+](=O)[O-])cn1)NCCN1CCOCC1.
What is the InChIKey of N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide?
The InChIKey is MRABUJGGXBBKTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O4/c17-11(9-15-8-10(7-13-15)16(18)19)12-1-2-14-3-5-20-6-4-14/h7-8H,1-6,9H2,(H,12,17).
What are the key properties of N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide?
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide has a molecular weight of 283.29 g/mol, XLogP of -0.76, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide is sourced from PubChem (CID 19516114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).