1-cyclohexyl-2-methyl-4-nitropyrazolidine

C10H19N3O2 — CID 20519815

IUPAC1-cyclohexyl-2-methyl-4-nitropyrazolidine
SMILESCN1CC([N+](=O)[O-])CN1C1CCCCC1
InChIInChI=1S/C10H19N3O2/c1-11-7-10(13(14)15)8-12(11)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3
InChIKeyDJIYDGUUQZXROA-UHFFFAOYSA-N
MW213.28 g/mol
LogP1.13
Rot. Bonds2

About 1-cyclohexyl-2-methyl-4-nitropyrazolidine

1-cyclohexyl-2-methyl-4-nitropyrazolidine (PubChem CID 20519815) has the molecular formula C10H19N3O2 and a molecular weight of 213.28 g/mol. Its IUPAC name is 1-cyclohexyl-2-methyl-4-nitropyrazolidine.

Molecular Properties

Compound Name1-cyclohexyl-2-methyl-4-nitropyrazolidine
PubChem CID20519815
Molecular FormulaC10H19N3O2
Molecular Weight213.28 g/mol
Exact Mass213.15
IUPAC Name1-cyclohexyl-2-methyl-4-nitropyrazolidine
SMILESCN1CC([N+](=O)[O-])CN1C1CCCCC1
InChIInChI=1S/C10H19N3O2/c1-11-7-10(13(14)15)8-12(11)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3
InChIKeyDJIYDGUUQZXROA-UHFFFAOYSA-N
XLogP1.13
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.28
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 1-cyclohexyl-2-methyl-4-nitropyrazolidine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-2-methyl-4-nitropyrazolidine?
The IUPAC name of 1-cyclohexyl-2-methyl-4-nitropyrazolidine (CID 20519815) is 1-cyclohexyl-2-methyl-4-nitropyrazolidine.
What is the SMILES notation for 1-cyclohexyl-2-methyl-4-nitropyrazolidine?
The canonical SMILES for 1-cyclohexyl-2-methyl-4-nitropyrazolidine is CN1CC([N+](=O)[O-])CN1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-2-methyl-4-nitropyrazolidine?
The InChIKey is DJIYDGUUQZXROA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O2/c1-11-7-10(13(14)15)8-12(11)9-5-3-2-4-6-9/h9-10H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-2-methyl-4-nitropyrazolidine?
1-cyclohexyl-2-methyl-4-nitropyrazolidine has a molecular weight of 213.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-2-methyl-4-nitropyrazolidine is sourced from PubChem (CID 20519815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).