2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide

C10H15BrN4O3 — CID 2980840

IUPAC2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)NC(C)C
InChIInChI=1S/C10H15BrN4O3/c1-5(2)12-10(16)7(4)14-6(3)8(11)9(13-14)15(17)18/h5,7H,1-4H3,(H,12,16)
InChIKeyQJUQYKUPJLCYIR-UHFFFAOYSA-N
MW319.16 g/mol
LogP1.95
Rot. Bonds4

About 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide

2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide (PubChem CID 2980840) has the molecular formula C10H15BrN4O3 and a molecular weight of 319.16 g/mol. Its IUPAC name is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
PubChem CID2980840
Molecular FormulaC10H15BrN4O3
Molecular Weight319.16 g/mol
Exact Mass318.03
IUPAC Name2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide
SMILESCc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)NC(C)C
InChIInChI=1S/C10H15BrN4O3/c1-5(2)12-10(16)7(4)14-6(3)8(11)9(13-14)15(17)18/h5,7H,1-4H3,(H,12,16)
InChIKeyQJUQYKUPJLCYIR-UHFFFAOYSA-N
XLogP1.95
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.16
LogP ≤ 51.95
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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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
The IUPAC name of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide (CID 2980840) is 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide.
What is the SMILES notation for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
The canonical SMILES for 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide is Cc1c(Br)c([N+](=O)[O-])nn1C(C)C(=O)NC(C)C.
What is the InChIKey of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
The InChIKey is QJUQYKUPJLCYIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN4O3/c1-5(2)12-10(16)7(4)14-6(3)8(11)9(13-14)15(17)18/h5,7H,1-4H3,(H,12,16).
What are the key properties of 2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide?
2-(4-bromo-5-methyl-3-nitropyrazol-1-yl)-N-propan-2-ylpropanamide has a molecular weight of 319.16 g/mol, XLogP of 1.95, 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-propan-2-ylpropanamide is sourced from PubChem (CID 2980840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).