N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

C12H17BrN4 — CID 104734078

IUPACN-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(N(C)CCBr)nccn2n1
InChIInChI=1S/C12H17BrN4/c1-9(2)10-8-11-12(16(3)6-4-13)14-5-7-17(11)15-10/h5,7-9H,4,6H2,1-3H3
InChIKeyBXUULQUACQHLNU-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.68
Rot. Bonds4

About N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine

N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734078) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734078
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC NameN-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(C)c1cc2c(N(C)CCBr)nccn2n1
InChIInChI=1S/C12H17BrN4/c1-9(2)10-8-11-12(16(3)6-4-13)14-5-7-17(11)15-10/h5,7-9H,4,6H2,1-3H3
InChIKeyBXUULQUACQHLNU-UHFFFAOYSA-N
XLogP2.68
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine 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-(3-chlorobutyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 113499999
1-[methyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propan-2-ol
CID 104733077
N',2-dimethyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729893
N'-(2-methylpropyl)-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104729896
N'-butyl-N'-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)ethane-1,2-diamine
CID 104733660
3-[propan-2-yl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoic acid
CID 104729371
2-[cyclobutyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]ethanol
CID 102869205
4-N-methyl-4-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)cyclohexane-1,4-diamine
CID 104729261
3-[ethyl-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)amino]-2-methylpropanethioamide
CID 104730009
N',N'-dimethyl-N-(2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-yl)propane-1,3-diamine
CID 104730523
N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734102
N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446668

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine (CID 104734078) is N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is CC(C)c1cc2c(N(C)CCBr)nccn2n1.
What is the InChIKey of N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is BXUULQUACQHLNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-9(2)10-8-11-12(16(3)6-4-13)14-5-7-17(11)15-10/h5,7-9H,4,6H2,1-3H3.
What are the key properties of N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine?
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 297.20 g/mol, XLogP of 2.68, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).