(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate

C8H10N4O4 — CID 118280783

IUPAC(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate
SMILESO=C(On1cc([N+](=O)[O-])cn1)N1CCCC1
InChIInChI=1S/C8H10N4O4/c13-8(10-3-1-2-4-10)16-11-6-7(5-9-11)12(14)15/h5-6H,1-4H2
InChIKeyGUXIMBVGGADRMO-UHFFFAOYSA-N
MW226.19 g/mol
LogP0.44
Rot. Bonds2

About (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate

(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate (PubChem CID 118280783) has the molecular formula C8H10N4O4 and a molecular weight of 226.19 g/mol. Its IUPAC name is (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate.

Molecular Properties

Compound Name(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate
PubChem CID118280783
Molecular FormulaC8H10N4O4
Molecular Weight226.19 g/mol
Exact Mass226.07
IUPAC Name(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate
SMILESO=C(On1cc([N+](=O)[O-])cn1)N1CCCC1
InChIInChI=1S/C8H10N4O4/c13-8(10-3-1-2-4-10)16-11-6-7(5-9-11)12(14)15/h5-6H,1-4H2
InChIKeyGUXIMBVGGADRMO-UHFFFAOYSA-N
XLogP0.44
TPSA90.50 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.19
LogP ≤ 50.44
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'}

Analyze (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate 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

(4-nitropyrazol-1-yl) propanoate
CID 118280556
1-(azepan-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 17383712
(3S)-1-[2-(4-nitropyrazol-1-yl)acetyl]piperidine-3-carboxylic acid
CID 81125826
1-(4-nitropyrazol-1-yl)piperidine;hydrochloride
CID 155191706
tert-butyl 4-(4-nitropyrazol-1-yl)piperidine-1-carboxylate
CID 56777238
tert-butyl 4-[4-(4-nitropyrazol-1-yl)piperidin-1-yl]piperidine-1-carboxylate
CID 177197342
1-methoxy-3-(4-nitropyrazol-1-yl)propan-2-one
CID 107507631
(4-nitrophenyl)methyl piperidine-1-carboxylate
CID 14021155
1-(3,4-dihydroxypyrrolidin-1-yl)-2-(4-nitropyrazol-1-yl)ethanone
CID 106672071
(2,4-dinitrophenyl) piperidine-1-carboxylate
CID 130386205
N-hydroxy-2-(4-nitropyrazol-1-yl)acetamide
CID 131036166
tert-butyl 3-(4-nitropyrazol-1-yl)pyrrolidine-1-carboxylate;ethane
CID 156721962

Frequently Asked Questions

What is the IUPAC name of (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate?
The IUPAC name of (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate (CID 118280783) is (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate.
What is the SMILES notation for (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate?
The canonical SMILES for (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate is O=C(On1cc([N+](=O)[O-])cn1)N1CCCC1.
What is the InChIKey of (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate?
The InChIKey is GUXIMBVGGADRMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O4/c13-8(10-3-1-2-4-10)16-11-6-7(5-9-11)12(14)15/h5-6H,1-4H2.
What are the key properties of (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate?
(4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate has a molecular weight of 226.19 g/mol, XLogP of 0.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-nitropyrazol-1-yl) pyrrolidine-1-carboxylate is sourced from PubChem (CID 118280783), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).