N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide

C10H14N4O3 — CID 1220992

IUPACN-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C10H14N4O3/c1-13-6-8(14(16)17)9(12-13)10(15)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,15)
InChIKeyJSDWYYPTKJHVLK-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.00
Rot. Bonds3

About N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide

N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide (PubChem CID 1220992) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
PubChem CID1220992
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC NameN-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide
SMILESCn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1
InChIInChI=1S/C10H14N4O3/c1-13-6-8(14(16)17)9(12-13)10(15)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,15)
InChIKeyJSDWYYPTKJHVLK-UHFFFAOYSA-N
XLogP1.00
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.00
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 N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide 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 N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide (CID 1220992) is N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide is Cn1cc([N+](=O)[O-])c(C(=O)NC2CCCC2)n1.
What is the InChIKey of N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide?
The InChIKey is JSDWYYPTKJHVLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-13-6-8(14(16)17)9(12-13)10(15)11-7-4-2-3-5-7/h6-7H,2-5H2,1H3,(H,11,15).
What are the key properties of N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide?
N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide has a molecular weight of 238.25 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-1-methyl-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 1220992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).