1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide

C10H11N5O4 — CID 832089

IUPAC1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C10H11N5O4/c1-3-14-5-7(15(17)18)9(12-14)10(16)11-8-4-6(2)19-13-8/h4-5H,3H2,1-2H3,(H,11,13,16)
InChIKeyKSWOZDMJICZZHV-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.36
Rot. Bonds4

About 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide

1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide (PubChem CID 832089) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide
PubChem CID832089
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide
SMILESCCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)n1
InChIInChI=1S/C10H11N5O4/c1-3-14-5-7(15(17)18)9(12-14)10(16)11-8-4-6(2)19-13-8/h4-5H,3H2,1-2H3,(H,11,13,16)
InChIKeyKSWOZDMJICZZHV-UHFFFAOYSA-N
XLogP1.36
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide (CID 832089) is 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide is CCn1cc([N+](=O)[O-])c(C(=O)Nc2cc(C)on2)n1.
What is the InChIKey of 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
The InChIKey is KSWOZDMJICZZHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-3-14-5-7(15(17)18)9(12-14)10(16)11-8-4-6(2)19-13-8/h4-5H,3H2,1-2H3,(H,11,13,16).
What are the key properties of 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.36, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 832089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).