2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

C15H15BrN4O3 — CID 71959987

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H15BrN4O3/c1-9-14(16)15(20(22)23)18-19(9)8-13(21)17-12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-8H2,1H3,(H,17,21)
InChIKeyBKKKERGJQIFQPZ-UHFFFAOYSA-N
MW379.21 g/mol
LogP2.67
Rot. Bonds4

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide (PubChem CID 71959987) has the molecular formula C15H15BrN4O3 and a molecular weight of 379.21 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
PubChem CID71959987
Molecular FormulaC15H15BrN4O3
Molecular Weight379.21 g/mol
Exact Mass378.03
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC1CCc2ccccc21
InChIInChI=1S/C15H15BrN4O3/c1-9-14(16)15(20(22)23)18-19(9)8-13(21)17-12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-8H2,1H3,(H,17,21)
InChIKeyBKKKERGJQIFQPZ-UHFFFAOYSA-N
XLogP2.67
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.21
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-(2,3-dihydro-1H-inden-1-yl)-2-(2-methyl-4-nitroimidazol-1-yl)acetamide
CID 71821715
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[3-(1-methylpyrrolidin-2-yl)-2-pyridinyl]acetamide
CID 3831465
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(4-nitro-1,3-dioxoisoindol-2-yl)acetamide
CID 26202111
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 18103852
N-[(1S)-2,3-dihydro-1H-inden-1-yl]-2-(4-oxo-1,2,3-benzotriazin-3-yl)acetamide
CID 94491684
2-[3-(4-chlorophenyl)-4-cyclopropyl-5-oxo-1,2,4-triazol-1-yl]-N-(2,3-dihydro-1H-inden-1-yl)acetamide
CID 58012103
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 51273562
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 51982400
N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-methoxyacetamide
CID 24895519
N-(2,3-dihydro-1H-inden-1-yl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 42924290
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-[4-(pyridin-4-ylmethyl)phenyl]acetamide
CID 1203728
N-(2,3-dihydro-1H-inden-1-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 17464756

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide (CID 71959987) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide is Cc1c(Br)c([N+](=O)[O-])nn1CC(=O)NC1CCc2ccccc21.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
The InChIKey is BKKKERGJQIFQPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrN4O3/c1-9-14(16)15(20(22)23)18-19(9)8-13(21)17-12-7-6-10-4-2-3-5-11(10)12/h2-5,12H,6-8H2,1H3,(H,17,21).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide has a molecular weight of 379.21 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-(2,3-dihydro-1H-inden-1-yl)acetamide is sourced from PubChem (CID 71959987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).