2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C10H11N5O3S — CID 4776275

IUPAC2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1nccs1
InChIInChI=1S/C10H11N5O3S/c1-7(9(16)13-10-11-2-3-19-10)5-14-6-8(4-12-14)15(17)18/h2-4,6-7H,5H2,1H3,(H,11,13,16)
InChIKeyDCFNVKGBQJRKFF-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.52
Rot. Bonds5

About 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 4776275) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID4776275
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCC(Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1nccs1
InChIInChI=1S/C10H11N5O3S/c1-7(9(16)13-10-11-2-3-19-10)5-14-6-8(4-12-14)15(17)18/h2-4,6-7H,5H2,1H3,(H,11,13,16)
InChIKeyDCFNVKGBQJRKFF-UHFFFAOYSA-N
XLogP1.52
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.30
LogP ≤ 51.52
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-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 4776275) is 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is CC(Cn1cc([N+](=O)[O-])cn1)C(=O)Nc1nccs1.
What is the InChIKey of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is DCFNVKGBQJRKFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-7(9(16)13-10-11-2-3-19-10)5-14-6-8(4-12-14)15(17)18/h2-4,6-7H,5H2,1H3,(H,11,13,16).
What are the key properties of 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 281.30 g/mol, XLogP of 1.52, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 4776275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).