N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C11H13BrN4O — CID 103122666

IUPACN-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)(CBr)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13BrN4O/c1-11(2,7-12)15-10(17)8-5-14-16-4-3-13-6-9(8)16/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyNIHLZQUFCJDGAH-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.63
Rot. Bonds3

About N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122666) has the molecular formula C11H13BrN4O and a molecular weight of 297.16 g/mol. Its IUPAC name is N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122666
Molecular FormulaC11H13BrN4O
Molecular Weight297.16 g/mol
Exact Mass296.03
IUPAC NameN-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(C)(CBr)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H13BrN4O/c1-11(2,7-12)15-10(17)8-5-14-16-4-3-13-6-9(8)16/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyNIHLZQUFCJDGAH-UHFFFAOYSA-N
XLogP1.63
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-(1-amino-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106164842
5-bromo-N-(1-bromo-2-methylpropan-2-yl)-1-methylpyrazole-4-carboxamide
CID 130702723
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122758
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-(1-hydroxybutan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103120076
pyrazolo[1,5-a]pyrazine-3-carboxylic acid
CID 67123720
N-[2-(2-bromoethyl)pentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106118084
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353

Frequently Asked Questions

What is the IUPAC name of N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122666) is N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(C)(CBr)NC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is NIHLZQUFCJDGAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O/c1-11(2,7-12)15-10(17)8-5-14-16-4-3-13-6-9(8)16/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 297.16 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).