(5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

C8H10N4O3 — CID 135636146

IUPAC(5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc([N+](=O)[O-])[nH]n1)N1CCCC1
InChIInChI=1S/C8H10N4O3/c13-8(11-3-1-2-4-11)6-5-7(10-9-6)12(14)15/h5H,1-4H2,(H,9,10)
InChIKeySIIVESSDNTUNKD-UHFFFAOYSA-N
MW210.19 g/mol
LogP0.55
Rot. Bonds2

About (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone

(5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (PubChem CID 135636146) has the molecular formula C8H10N4O3 and a molecular weight of 210.19 g/mol. Its IUPAC name is (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
PubChem CID135636146
Molecular FormulaC8H10N4O3
Molecular Weight210.19 g/mol
Exact Mass210.08
IUPAC Name(5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone
SMILESO=C(c1cc([N+](=O)[O-])[nH]n1)N1CCCC1
InChIInChI=1S/C8H10N4O3/c13-8(11-3-1-2-4-11)6-5-7(10-9-6)12(14)15/h5H,1-4H2,(H,9,10)
InChIKeySIIVESSDNTUNKD-UHFFFAOYSA-N
XLogP0.55
TPSA92.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.19
LogP ≤ 50.55
H-Bond Donors ≤ 51
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'}

Analyze (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone 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 (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone (CID 135636146) is (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is O=C(c1cc([N+](=O)[O-])[nH]n1)N1CCCC1.
What is the InChIKey of (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is SIIVESSDNTUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10N4O3/c13-8(11-3-1-2-4-11)6-5-7(10-9-6)12(14)15/h5H,1-4H2,(H,9,10).
What are the key properties of (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone?
(5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 210.19 g/mol, XLogP of 0.55, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-nitro-1H-pyrazol-3-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 135636146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).