N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

C12H15BrN4O — CID 103122758

IUPACN-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CCBr)CNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H15BrN4O/c1-9(2-3-13)6-15-12(18)10-7-16-17-5-4-14-8-11(10)17/h4-5,7-9H,2-3,6H2,1H3,(H,15,18)
InChIKeySFZUBYVRGVCTCM-UHFFFAOYSA-N
MW311.18 g/mol
LogP1.88
Rot. Bonds5

About N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide

N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (PubChem CID 103122758) has the molecular formula C12H15BrN4O and a molecular weight of 311.18 g/mol. Its IUPAC name is N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.

Molecular Properties

Compound NameN-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
PubChem CID103122758
Molecular FormulaC12H15BrN4O
Molecular Weight311.18 g/mol
Exact Mass310.04
IUPAC NameN-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
SMILESCC(CCBr)CNC(=O)c1cnn2ccncc12
InChIInChI=1S/C12H15BrN4O/c1-9(2-3-13)6-15-12(18)10-7-16-17-5-4-14-8-11(10)17/h4-5,7-9H,2-3,6H2,1H3,(H,15,18)
InChIKeySFZUBYVRGVCTCM-UHFFFAOYSA-N
XLogP1.88
TPSA59.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-bromoethyl)pentyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106118084
N-(3-chlorobutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122603
N-(2,2-diethoxyethyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103118121
N-(2-hydroxy-4,4-dimethylpentyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 107155250
N-[2-(bromomethyl)-2-ethylbutyl]pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106255619
N-(4-bromo-2-methylbutyl)-3-hydroxypyridine-4-carboxamide
CID 114316791
N-(3-bromo-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 114163401
N-(1,3-dibromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122794
N-(1-bromo-2-methylpropan-2-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103122666
N-(3-amino-4-methoxybutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106243450
N-(1-amino-4-methylpentan-3-yl)pyrazolo[1,5-a]pyrazine-3-carboxamide
CID 106356751
3-methyl-2-(pyrazolo[1,5-a]pyrazine-3-carbonylamino)butanoic acid
CID 103116353

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The IUPAC name of N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide (CID 103122758) is N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide.
What is the SMILES notation for N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The canonical SMILES for N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is CC(CCBr)CNC(=O)c1cnn2ccncc12.
What is the InChIKey of N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
The InChIKey is SFZUBYVRGVCTCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O/c1-9(2-3-13)6-15-12(18)10-7-16-17-5-4-14-8-11(10)17/h4-5,7-9H,2-3,6H2,1H3,(H,15,18).
What are the key properties of N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide?
N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide has a molecular weight of 311.18 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-methylbutyl)pyrazolo[1,5-a]pyrazine-3-carboxamide is sourced from PubChem (CID 103122758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).