5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide

C9H13Br2N3O — CID 130702723

IUPAC5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(C)(C)CBr)c1Br
InChIInChI=1S/C9H13Br2N3O/c1-9(2,5-10)13-8(15)6-4-12-14(3)7(6)11/h4H,5H2,1-3H3,(H,13,15)
InChIKeyKLFZZIUWLIFOBE-UHFFFAOYSA-N
MW339.03 g/mol
LogP2.09
Rot. Bonds3

About 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide

5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide (PubChem CID 130702723) has the molecular formula C9H13Br2N3O and a molecular weight of 339.03 g/mol. Its IUPAC name is 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound Name5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide
PubChem CID130702723
Molecular FormulaC9H13Br2N3O
Molecular Weight339.03 g/mol
Exact Mass336.94
IUPAC Name5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide
SMILESCn1ncc(C(=O)NC(C)(C)CBr)c1Br
InChIInChI=1S/C9H13Br2N3O/c1-9(2,5-10)13-8(15)6-4-12-14(3)7(6)11/h4H,5H2,1-3H3,(H,13,15)
InChIKeyKLFZZIUWLIFOBE-UHFFFAOYSA-N
XLogP2.09
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.03
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]acetic acid
CID 115048925
5-bromo-1-methyl-N-prop-2-ynylpyrazole-4-carboxamide
CID 130626828
5-bromo-N-(1-chloropropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 131020849
2-[(5-bromo-1-methylpyrazole-4-carbonyl)amino]propanoic acid
CID 127019911
N-(1-bromo-2-methylpropan-2-yl)-5-methyl-1,2-oxazole-4-carboxamide
CID 114307930
3-methyl-3-[(1-methyl-5-pyrrol-1-ylpyrazole-4-carbonyl)amino]butanoic acid
CID 64671878
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-hydroxybenzamide
CID 107730406
N-(1-bromo-2-methylpropan-2-yl)-2-chlorofuran-3-carboxamide
CID 106690034
2-bromo-N-(1-bromo-2-methylpropan-2-yl)-5-methylbenzamide
CID 114308205
5-bromo-N-(1-bromo-2-methylpropan-2-yl)pyrimidine-4-carboxamide
CID 130565372
4-bromo-N-(1-bromo-2-methylpropan-2-yl)-2-fluorobenzamide
CID 114308107

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
The IUPAC name of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide (CID 130702723) is 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
The canonical SMILES for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide is Cn1ncc(C(=O)NC(C)(C)CBr)c1Br.
What is the InChIKey of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
The InChIKey is KLFZZIUWLIFOBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13Br2N3O/c1-9(2,5-10)13-8(15)6-4-12-14(3)7(6)11/h4H,5H2,1-3H3,(H,13,15).
What are the key properties of 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide?
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide has a molecular weight of 339.03 g/mol, XLogP of 2.09, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 130702723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).