2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

C10H10BrN5O3S — CID 2981764

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)Nc1nccs1
InChIInChI=1S/C10H10BrN5O3S/c1-5-7(11)8(16(18)19)14-15(5)6(2)9(17)13-10-12-3-4-20-10/h3-4,6H,1-2H3,(H,12,13,17)
InChIKeyVOVDBCMWGXKLHQ-UHFFFAOYSA-N
MW360.19 g/mol
LogP2.52
Rot. Bonds4

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (PubChem CID 2981764) has the molecular formula C10H10BrN5O3S and a molecular weight of 360.19 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
PubChem CID2981764
Molecular FormulaC10H10BrN5O3S
Molecular Weight360.19 g/mol
Exact Mass358.97
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)Nc1nccs1
InChIInChI=1S/C10H10BrN5O3S/c1-5-7(11)8(16(18)19)14-15(5)6(2)9(17)13-10-12-3-4-20-10/h3-4,6H,1-2H3,(H,12,13,17)
InChIKeyVOVDBCMWGXKLHQ-UHFFFAOYSA-N
XLogP2.52
TPSA102.95 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.19
LogP ≤ 52.52
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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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-(5-methyl-3-nitro-1H-pyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 843568
4-bromo-2-ethyl-N-(1,3-thiazol-2-yl)pyrazole-3-carboxamide
CID 891968
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-1H-pyrazol-1-yl)-N-(4,5-dimethyl-1,3-thiazol-2-yl)propanamide
CID 4770994
2-[4-bromo-5-methyl-3-(trifluoromethyl)pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4772943
2-[4-bromo-3-(difluoromethyl)-5-methyl-1H-pyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 4771470
(2S)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40441086
(2R)-2-[4-bromo-3-(difluoromethyl)-5-methylpyrazol-1-yl]-N-(1,3-thiazol-2-yl)propanamide
CID 40441087
3-(3,5-dimethyl-4-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide
CID 842817

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide (CID 2981764) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)Nc1nccs1.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
The InChIKey is VOVDBCMWGXKLHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN5O3S/c1-5-7(11)8(16(18)19)14-15(5)6(2)9(17)13-10-12-3-4-20-10/h3-4,6H,1-2H3,(H,12,13,17).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide has a molecular weight of 360.19 g/mol, XLogP of 2.52, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(1,3-thiazol-2-yl)propanamide is sourced from PubChem (CID 2981764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).