1-cyclopentyl-5-nitropyrazole-3-carboxylic acid

C9H11N3O4 — CID 19619936

IUPAC1-cyclopentyl-5-nitropyrazole-3-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])n(C2CCCC2)n1
InChIInChI=1S/C9H11N3O4/c13-9(14)7-5-8(12(15)16)11(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyRRMKSQKIZORBQZ-UHFFFAOYSA-N
MW225.20 g/mol
LogP1.60
Rot. Bonds3

About 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid

1-cyclopentyl-5-nitropyrazole-3-carboxylic acid (PubChem CID 19619936) has the molecular formula C9H11N3O4 and a molecular weight of 225.20 g/mol. Its IUPAC name is 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid.

Molecular Properties

Compound Name1-cyclopentyl-5-nitropyrazole-3-carboxylic acid
PubChem CID19619936
Molecular FormulaC9H11N3O4
Molecular Weight225.20 g/mol
Exact Mass225.07
IUPAC Name1-cyclopentyl-5-nitropyrazole-3-carboxylic acid
SMILESO=C(O)c1cc([N+](=O)[O-])n(C2CCCC2)n1
InChIInChI=1S/C9H11N3O4/c13-9(14)7-5-8(12(15)16)11(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14)
InChIKeyRRMKSQKIZORBQZ-UHFFFAOYSA-N
XLogP1.60
TPSA98.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.20
LogP ≤ 51.60
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'}

Analyze 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid 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-cyclopentyl-5-nitropyrazole-3-carboxylic acid?
The IUPAC name of 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid (CID 19619936) is 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid.
What is the SMILES notation for 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid?
The canonical SMILES for 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid is O=C(O)c1cc([N+](=O)[O-])n(C2CCCC2)n1.
What is the InChIKey of 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid?
The InChIKey is RRMKSQKIZORBQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3O4/c13-9(14)7-5-8(12(15)16)11(10-7)6-3-1-2-4-6/h5-6H,1-4H2,(H,13,14).
What are the key properties of 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid?
1-cyclopentyl-5-nitropyrazole-3-carboxylic acid has a molecular weight of 225.20 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopentyl-5-nitropyrazole-3-carboxylic acid is sourced from PubChem (CID 19619936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).