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

C11H12Br2N4O — CID 103122794

IUPACN-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CBr)(CBr)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H12Br2N4O/c1-11(6-12,7-13)16-10(18)8-4-15-17-3-2-14-5-9(8)17/h2-5H,6-7H2,1H3,(H,16,18)
InChIKeyRMRHCGXSOZSALS-UHFFFAOYSA-N
MW376.05 g/mol
LogP2.01
Rot. Bonds4

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

N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122794) has the molecular formula C11H12Br2N4O and a molecular weight of 376.05 g/mol. Its IUPAC name is N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122794
Molecular FormulaC11H12Br2N4O
Molecular Weight376.05 g/mol
Exact Mass373.94
IUPAC NameN-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CBr)(CBr)NC(=O)c1cnn2ccncc12
InChIInChI=1S/C11H12Br2N4O/c1-11(6-12,7-13)16-10(18)8-4-15-17-3-2-14-5-9(8)17/h2-5H,6-7H2,1H3,(H,16,18)
InChIKeyRMRHCGXSOZSALS-UHFFFAOYSA-N
XLogP2.01
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.05
LogP ≤ 52.01
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-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
N-(1-amino-3-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106164842
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
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
N-pent-3-ynylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122096
tert-butyl pyrazolo[1,5-a]pyrazine-3-carboxylate
CID 103120068
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
N-[1-(bromomethyl)-4-methylcyclohexyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122741

Frequently Asked Questions

What is the IUPAC name of N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122794) is N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(CBr)(CBr)NC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is RMRHCGXSOZSALS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Br2N4O/c1-11(6-12,7-13)16-10(18)8-4-15-17-3-2-14-5-9(8)17/h2-5H,6-7H2,1H3,(H,16,18).
What are the key properties of N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 376.05 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).