N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide

C9H12N4O3 — CID 135803017

IUPACN-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C9H12N4O3/c14-9(10-6-3-1-2-4-6)7-5-8(12-11-7)13(15)16/h5-6H,1-4H2,(H,10,14)(H,11,12)
InChIKeyACIKWYKVUUOHFX-UHFFFAOYSA-N
MW224.22 g/mol
LogP0.99
Rot. Bonds3

About N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide

N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide (PubChem CID 135803017) has the molecular formula C9H12N4O3 and a molecular weight of 224.22 g/mol. Its IUPAC name is N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
PubChem CID135803017
Molecular FormulaC9H12N4O3
Molecular Weight224.22 g/mol
Exact Mass224.09
IUPAC NameN-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide
SMILESO=C(NC1CCCC1)c1cc([N+](=O)[O-])[nH]n1
InChIInChI=1S/C9H12N4O3/c14-9(10-6-3-1-2-4-6)7-5-8(12-11-7)13(15)16/h5-6H,1-4H2,(H,10,14)(H,11,12)
InChIKeyACIKWYKVUUOHFX-UHFFFAOYSA-N
XLogP0.99
TPSA100.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.22
LogP ≤ 50.99
H-Bond Donors ≤ 52
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 N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
The IUPAC name of N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide (CID 135803017) is N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide.
What is the SMILES notation for N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
The canonical SMILES for N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide is O=C(NC1CCCC1)c1cc([N+](=O)[O-])[nH]n1.
What is the InChIKey of N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
The InChIKey is ACIKWYKVUUOHFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O3/c14-9(10-6-3-1-2-4-6)7-5-8(12-11-7)13(15)16/h5-6H,1-4H2,(H,10,14)(H,11,12).
What are the key properties of N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide?
N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide has a molecular weight of 224.22 g/mol, XLogP of 0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-5-nitro-1H-pyrazole-3-carboxamide is sourced from PubChem (CID 135803017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).