(1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone

C10H14N4O3 — CID 831955

IUPAC(1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)N1CCCC1
InChIInChI=1S/C10H14N4O3/c1-2-13-9(8(7-11-13)14(16)17)10(15)12-5-3-4-6-12/h7H,2-6H2,1H3
InChIKeyNQMKUVIACIXSAG-UHFFFAOYSA-N
MW238.25 g/mol
LogP1.05
Rot. Bonds3

About (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone

(1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone (PubChem CID 831955) has the molecular formula C10H14N4O3 and a molecular weight of 238.25 g/mol. Its IUPAC name is (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone.

Molecular Properties

Compound Name(1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone
PubChem CID831955
Molecular FormulaC10H14N4O3
Molecular Weight238.25 g/mol
Exact Mass238.11
IUPAC Name(1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone
SMILESCCn1ncc([N+](=O)[O-])c1C(=O)N1CCCC1
InChIInChI=1S/C10H14N4O3/c1-2-13-9(8(7-11-13)14(16)17)10(15)12-5-3-4-6-12/h7H,2-6H2,1H3
InChIKeyNQMKUVIACIXSAG-UHFFFAOYSA-N
XLogP1.05
TPSA81.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 51.05
H-Bond Donors ≤ 50
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 (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The IUPAC name of (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone (CID 831955) is (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone.
What is the SMILES notation for (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The canonical SMILES for (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone is CCn1ncc([N+](=O)[O-])c1C(=O)N1CCCC1.
What is the InChIKey of (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone?
The InChIKey is NQMKUVIACIXSAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N4O3/c1-2-13-9(8(7-11-13)14(16)17)10(15)12-5-3-4-6-12/h7H,2-6H2,1H3.
What are the key properties of (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone?
(1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone has a molecular weight of 238.25 g/mol, XLogP of 1.05, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-4-nitropyrazol-5-yl)-pyrrolidin-1-ylmethanone is sourced from PubChem (CID 831955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).