N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine

C9H14N4O3 — CID 115735964

IUPACN-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine
SMILESO=[N+]([O-])c1cnn(CCNC2CCOC2)c1
InChIInChI=1S/C9H14N4O3/c14-13(15)9-5-11-12(6-9)3-2-10-8-1-4-16-7-8/h5-6,8,10H,1-4,7H2
InChIKeyIRZRZICSMMGJQZ-UHFFFAOYSA-N
MW226.24 g/mol
LogP0.17
Rot. Bonds5

About N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine

N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine (PubChem CID 115735964) has the molecular formula C9H14N4O3 and a molecular weight of 226.24 g/mol. Its IUPAC name is N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine.

Molecular Properties

Compound NameN-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine
PubChem CID115735964
Molecular FormulaC9H14N4O3
Molecular Weight226.24 g/mol
Exact Mass226.11
IUPAC NameN-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine
SMILESO=[N+]([O-])c1cnn(CCNC2CCOC2)c1
InChIInChI=1S/C9H14N4O3/c14-13(15)9-5-11-12(6-9)3-2-10-8-1-4-16-7-8/h5-6,8,10H,1-4,7H2
InChIKeyIRZRZICSMMGJQZ-UHFFFAOYSA-N
XLogP0.17
TPSA82.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.24
LogP ≤ 50.17
H-Bond Donors ≤ 51
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'}

Analyze N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine
CID 75483001
N-[2-(4-nitrophenyl)ethyl]oxolan-3-amine
CID 63335701
N-(2-pyrazol-1-ylethyl)oxolan-3-amine
CID 63335100
2-(4-nitropyrazol-1-yl)ethanamine
CID 7017136
N-(2-morpholin-4-ylethyl)-2-(4-nitropyrazol-1-yl)acetamide
CID 19516114
N'-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109443487
1-butyl-4-nitropyrazole
CID 50999673
(1S)-1-(3,5-difluorophenyl)-N-[2-(4-nitropyrazol-1-yl)ethyl]ethanamine
CID 97104074
1-[(3R)-3-(2-methylpropyl)morpholin-4-yl]-3-(4-nitropyrazol-1-yl)propan-1-one
CID 95380674
(2S,4S)-2-methyl-N-[2-(4-nitropyrazol-1-yl)ethyl]piperidine-4-carboxamide;hydrochloride
CID 120639471
fluoroethane;1-(2-fluoroethyl)-4-nitropyrazole
CID 176710740
1-(cyclooctylamino)-3-(4-nitropyrazol-1-yl)propan-2-ol
CID 60897516

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine?
The IUPAC name of N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine (CID 115735964) is N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine.
What is the SMILES notation for N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine?
The canonical SMILES for N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine is O=[N+]([O-])c1cnn(CCNC2CCOC2)c1.
What is the InChIKey of N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine?
The InChIKey is IRZRZICSMMGJQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O3/c14-13(15)9-5-11-12(6-9)3-2-10-8-1-4-16-7-8/h5-6,8,10H,1-4,7H2.
What are the key properties of N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine?
N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine has a molecular weight of 226.24 g/mol, XLogP of 0.17, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-nitropyrazol-1-yl)ethyl]oxolan-3-amine is sourced from PubChem (CID 115735964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).