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

C9H9N5O3S — CID 1259355

IUPAC2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1nccs1
InChIInChI=1S/C9H9N5O3S/c1-6-4-7(14(16)17)12-13(6)5-8(15)11-9-10-2-3-18-9/h2-4H,5H2,1H3,(H,10,11,15)
InChIKeyOLDSKNMUHIIRSR-UHFFFAOYSA-N
MW267.27 g/mol
LogP1.19
Rot. Bonds4

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

2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 1259355) has the molecular formula C9H9N5O3S and a molecular weight of 267.27 g/mol. Its IUPAC name is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

Compound Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
PubChem CID1259355
Molecular FormulaC9H9N5O3S
Molecular Weight267.27 g/mol
Exact Mass267.04
IUPAC Name2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide
SMILESCc1cc([N+](=O)[O-])nn1CC(=O)Nc1nccs1
InChIInChI=1S/C9H9N5O3S/c1-6-4-7(14(16)17)12-13(6)5-8(15)11-9-10-2-3-18-9/h2-4H,5H2,1H3,(H,10,11,15)
InChIKeyOLDSKNMUHIIRSR-UHFFFAOYSA-N
XLogP1.19
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.27
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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Related Compounds

2-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258327
2-(4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1256222
4-(3,5-dimethyl-4-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylbutanamide
CID 1511627
3-(3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 4766010
3-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 843568
2-(3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258799
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1509843
2-(4-bromo-5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylpropanamide
CID 2981764
N-(5-methyl-1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]propanamide
CID 45147779
N-(2,5-dimethylpyrazol-3-yl)-2-[3-methyl-4-(1,3-thiazol-2-yl)piperazin-1-yl]acetamide
CID 75369831
3-(3-Methyl-1H-pyrazol-1-YL)-N-(1,3-thiazol-2-YL)propanamide
CID 45106807
N-(1,3-thiazol-2-yl)-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 8762702

Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The IUPAC name of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 1259355) is 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide.
What is the SMILES notation for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The canonical SMILES for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is Cc1cc([N+](=O)[O-])nn1CC(=O)Nc1nccs1.
What is the InChIKey of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
The InChIKey is OLDSKNMUHIIRSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9N5O3S/c1-6-4-7(14(16)17)12-13(6)5-8(15)11-9-10-2-3-18-9/h2-4H,5H2,1H3,(H,10,11,15).
What are the key properties of 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide?
2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 267.27 g/mol, XLogP of 1.19, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 1259355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).