2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine

C12H20N4O2 — CID 75483001

IUPAC2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H20N4O2/c1-12(2)5-3-4-11(12)13-6-7-15-9-10(8-14-15)16(17)18/h8-9,11,13H,3-7H2,1-2H3
InChIKeyGHGBJGYKERBQPM-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.96
Rot. Bonds5

About 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine

2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine (PubChem CID 75483001) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine.

Molecular Properties

Compound Name2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine
PubChem CID75483001
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine
SMILESCC1(C)CCCC1NCCn1cc([N+](=O)[O-])cn1
InChIInChI=1S/C12H20N4O2/c1-12(2)5-3-4-11(12)13-6-7-15-9-10(8-14-15)16(17)18/h8-9,11,13H,3-7H2,1-2H3
InChIKeyGHGBJGYKERBQPM-UHFFFAOYSA-N
XLogP1.96
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine?
The IUPAC name of 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine (CID 75483001) is 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine.
What is the SMILES notation for 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine?
The canonical SMILES for 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine is CC1(C)CCCC1NCCn1cc([N+](=O)[O-])cn1.
What is the InChIKey of 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine?
The InChIKey is GHGBJGYKERBQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-12(2)5-3-4-11(12)13-6-7-15-9-10(8-14-15)16(17)18/h8-9,11,13H,3-7H2,1-2H3.
What are the key properties of 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine?
2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine has a molecular weight of 252.32 g/mol, XLogP of 1.96, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[2-(4-nitropyrazol-1-yl)ethyl]cyclopentan-1-amine is sourced from PubChem (CID 75483001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).