2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

C10H11N5O3S — CID 1258327

IUPAC2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nccs2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O3S/c1-6-9(15(17)18)7(2)14(13-6)5-8(16)12-10-11-3-4-19-10/h3-4H,5H2,1-2H3,(H,11,12,16)
InChIKeyREPQLWKCRKPPPV-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.50
Rot. Bonds4

About 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1258327) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1258327
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1nn(CC(=O)Nc2nccs2)c(C)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O3S/c1-6-9(15(17)18)7(2)14(13-6)5-8(16)12-10-11-3-4-19-10/h3-4H,5H2,1-2H3,(H,11,12,16)
InChIKeyREPQLWKCRKPPPV-UHFFFAOYSA-N
XLogP1.50
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.50
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 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 1258327) is 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1nn(CC(=O)Nc2nccs2)c(C)c1[N+](=O)[O-].
What is the InChIKey of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is REPQLWKCRKPPPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-6-9(15(17)18)7(2)14(13-6)5-8(16)12-10-11-3-4-19-10/h3-4H,5H2,1-2H3,(H,11,12,16).
What are the key properties of 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 281.30 g/mol, XLogP of 1.50, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1258327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).