N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine

C10H16N4O2 — CID 43533037

IUPACN-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7-9(14(15)16)10(13(2)12-7)11-8-5-3-4-6-8/h8,11H,3-6H2,1-2H3
InChIKeyQGJNDAONXAHOSI-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.99
Rot. Bonds3

About N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine

N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine (PubChem CID 43533037) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine.

Molecular Properties

Compound NameN-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine
PubChem CID43533037
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine
SMILESCc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-]
InChIInChI=1S/C10H16N4O2/c1-7-9(14(15)16)10(13(2)12-7)11-8-5-3-4-6-8/h8,11H,3-6H2,1-2H3
InChIKeyQGJNDAONXAHOSI-UHFFFAOYSA-N
XLogP1.99
TPSA72.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.99
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 N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine?
The IUPAC name of N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine (CID 43533037) is N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine.
What is the SMILES notation for N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine?
The canonical SMILES for N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine is Cc1nn(C)c(NC2CCCC2)c1[N+](=O)[O-].
What is the InChIKey of N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine?
The InChIKey is QGJNDAONXAHOSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-9(14(15)16)10(13(2)12-7)11-8-5-3-4-6-8/h8,11H,3-6H2,1-2H3.
What are the key properties of N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine?
N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine has a molecular weight of 224.26 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1,3-dimethyl-4-nitropyrazol-5-amine is sourced from PubChem (CID 43533037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).