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

C10H11N5O3S — CID 843568

IUPAC3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)Nc1nccs1
InChIInChI=1S/C10H11N5O3S/c1-7-6-8(15(17)18)13-14(7)4-2-9(16)12-10-11-3-5-19-10/h3,5-6H,2,4H2,1H3,(H,11,12,16)
InChIKeySYADDCGAKKNHNE-UHFFFAOYSA-N
MW281.30 g/mol
LogP1.59
Rot. Bonds5

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

3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 843568) has the molecular formula C10H11N5O3S and a molecular weight of 281.30 g/mol. Its IUPAC name is 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID843568
Molecular FormulaC10H11N5O3S
Molecular Weight281.30 g/mol
Exact Mass281.06
IUPAC Name3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1cc([N+](=O)[O-])nn1CCC(=O)Nc1nccs1
InChIInChI=1S/C10H11N5O3S/c1-7-6-8(15(17)18)13-14(7)4-2-9(16)12-10-11-3-5-19-10/h3,5-6H,2,4H2,1H3,(H,11,12,16)
InChIKeySYADDCGAKKNHNE-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
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
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
2-(3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1258799
2-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-1,3-thiazol-2-ylacetamide
CID 1259355
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-(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
3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 1231848
2-methyl-3-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]-N-1,3-thiazol-2-ylpropanamide
CID 3461509
(2R)-2-methyl-3-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40443494

Frequently Asked Questions

What is the IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 843568) is 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1cc([N+](=O)[O-])nn1CCC(=O)Nc1nccs1.
What is the InChIKey of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is SYADDCGAKKNHNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O3S/c1-7-6-8(15(17)18)13-14(7)4-2-9(16)12-10-11-3-5-19-10/h3,5-6H,2,4H2,1H3,(H,11,12,16).
What are the key properties of 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 281.30 g/mol, XLogP of 1.59, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 843568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).