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

C10H11N5O4 — CID 844618

IUPAC1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])no1
InChIInChI=1S/C10H11N5O4/c1-5-4-7(13-19-5)11-10(16)8-9(15(17)18)6(2)14(3)12-8/h4H,1-3H3,(H,11,13,16)
InChIKeyIACFVRJZILONOT-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.19
Rot. Bonds3

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

1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide (PubChem CID 844618) has the molecular formula C10H11N5O4 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide.

Molecular Properties

Compound Name1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide
PubChem CID844618
Molecular FormulaC10H11N5O4
Molecular Weight265.23 g/mol
Exact Mass265.08
IUPAC Name1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide
SMILESCc1cc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])no1
InChIInChI=1S/C10H11N5O4/c1-5-4-7(13-19-5)11-10(16)8-9(15(17)18)6(2)14(3)12-8/h4H,1-3H3,(H,11,13,16)
InChIKeyIACFVRJZILONOT-UHFFFAOYSA-N
XLogP1.19
TPSA116.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.19
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 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
The IUPAC name of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide (CID 844618) is 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide.
What is the SMILES notation for 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
The canonical SMILES for 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide is Cc1cc(NC(=O)c2nn(C)c(C)c2[N+](=O)[O-])no1.
What is the InChIKey of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
The InChIKey is IACFVRJZILONOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O4/c1-5-4-7(13-19-5)11-10(16)8-9(15(17)18)6(2)14(3)12-8/h4H,1-3H3,(H,11,13,16).
What are the key properties of 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide?
1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide has a molecular weight of 265.23 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-N-(5-methyl-1,2-oxazol-3-yl)-4-nitropyrazole-3-carboxamide is sourced from PubChem (CID 844618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).