1,2-dicyclohexyl-4-nitropyrazolidine

C15H27N3O2 — CID 20519752

IUPAC1,2-dicyclohexyl-4-nitropyrazolidine
SMILESO=[N+]([O-])C1CN(C2CCCCC2)N(C2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c19-18(20)15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyTWXIOLXYROBFMD-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.83
Rot. Bonds3

About 1,2-dicyclohexyl-4-nitropyrazolidine

1,2-dicyclohexyl-4-nitropyrazolidine (PubChem CID 20519752) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 1,2-dicyclohexyl-4-nitropyrazolidine.

Molecular Properties

Compound Name1,2-dicyclohexyl-4-nitropyrazolidine
PubChem CID20519752
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name1,2-dicyclohexyl-4-nitropyrazolidine
SMILESO=[N+]([O-])C1CN(C2CCCCC2)N(C2CCCCC2)C1
InChIInChI=1S/C15H27N3O2/c19-18(20)15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h13-15H,1-12H2
InChIKeyTWXIOLXYROBFMD-UHFFFAOYSA-N
XLogP2.83
TPSA49.62 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.83
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'}

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Frequently Asked Questions

What is the IUPAC name of 1,2-dicyclohexyl-4-nitropyrazolidine?
The IUPAC name of 1,2-dicyclohexyl-4-nitropyrazolidine (CID 20519752) is 1,2-dicyclohexyl-4-nitropyrazolidine.
What is the SMILES notation for 1,2-dicyclohexyl-4-nitropyrazolidine?
The canonical SMILES for 1,2-dicyclohexyl-4-nitropyrazolidine is O=[N+]([O-])C1CN(C2CCCCC2)N(C2CCCCC2)C1.
What is the InChIKey of 1,2-dicyclohexyl-4-nitropyrazolidine?
The InChIKey is TWXIOLXYROBFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c19-18(20)15-11-16(13-7-3-1-4-8-13)17(12-15)14-9-5-2-6-10-14/h13-15H,1-12H2.
What are the key properties of 1,2-dicyclohexyl-4-nitropyrazolidine?
1,2-dicyclohexyl-4-nitropyrazolidine has a molecular weight of 281.40 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dicyclohexyl-4-nitropyrazolidine is sourced from PubChem (CID 20519752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).