5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide

C9H14N4O4 — CID 11218717

IUPAC5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide
SMILESCCc1c([N+](=O)[O-])c(C(N)=O)nn1CCOC
InChIInChI=1S/C9H14N4O4/c1-3-6-8(13(15)16)7(9(10)14)11-12(6)4-5-17-2/h3-5H2,1-2H3,(H2,10,14)
InChIKeyGYWKKQHZMMSMKE-UHFFFAOYSA-N
MW242.23 g/mol
LogP0.10
Rot. Bonds6

About 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide

5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide (PubChem CID 11218717) has the molecular formula C9H14N4O4 and a molecular weight of 242.23 g/mol. Its IUPAC name is 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide
PubChem CID11218717
Molecular FormulaC9H14N4O4
Molecular Weight242.23 g/mol
Exact Mass242.10
IUPAC Name5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide
SMILESCCc1c([N+](=O)[O-])c(C(N)=O)nn1CCOC
InChIInChI=1S/C9H14N4O4/c1-3-6-8(13(15)16)7(9(10)14)11-12(6)4-5-17-2/h3-5H2,1-2H3,(H2,10,14)
InChIKeyGYWKKQHZMMSMKE-UHFFFAOYSA-N
XLogP0.10
TPSA113.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.23
LogP ≤ 50.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide (CID 11218717) is 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide is CCc1c([N+](=O)[O-])c(C(N)=O)nn1CCOC.
What is the InChIKey of 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide?
The InChIKey is GYWKKQHZMMSMKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N4O4/c1-3-6-8(13(15)16)7(9(10)14)11-12(6)4-5-17-2/h3-5H2,1-2H3,(H2,10,14).
What are the key properties of 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide?
5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide has a molecular weight of 242.23 g/mol, XLogP of 0.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-(2-methoxyethyl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 11218717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).