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

C12H17BrN4 — CID 104734102

IUPACN-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCN(CCBr)c1nccn2nc(C)cc12
InChIInChI=1S/C12H17BrN4/c1-3-6-16(7-4-13)12-11-9-10(2)15-17(11)8-5-14-12/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyDWYSPOWXQICQAR-UHFFFAOYSA-N
MW297.20 g/mol
LogP2.65
Rot. Bonds5

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

N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 104734102) has the molecular formula C12H17BrN4 and a molecular weight of 297.20 g/mol. Its IUPAC name is N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
PubChem CID104734102
Molecular FormulaC12H17BrN4
Molecular Weight297.20 g/mol
Exact Mass296.06
IUPAC NameN-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine
SMILESCCCN(CCBr)c1nccn2nc(C)cc12
InChIInChI=1S/C12H17BrN4/c1-3-6-16(7-4-13)12-11-9-10(2)15-17(11)8-5-14-12/h5,8-9H,3-4,6-7H2,1-2H3
InChIKeyDWYSPOWXQICQAR-UHFFFAOYSA-N
XLogP2.65
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.20
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N'-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)-N'-propylethane-1,2-diamine
CID 104734207
2-methyl-N-propyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619653
ethyl 2-[ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetate
CID 113446555
2-[2-(dimethylamino)ethyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]acetic acid
CID 107424895
N-(2-methoxyethyl)-2-methyl-N-prop-2-enylpyrazolo[1,5-a]pyrazin-4-amine
CID 100653666
3-[2-bromoethyl(propyl)amino]-1-ethylpyrazin-2-one
CID 80673737
N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104733689
N-ethyl-2-methyl-N-(pyrrolidin-2-ylmethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 106619257
N-(2-bromoethyl)-N-methyl-2-propan-2-ylpyrazolo[1,5-a]pyrazin-4-amine
CID 104734078
ethyl 3-[methyl-(2-methylpyrazolo[1,5-a]pyrazin-4-yl)amino]propanoate
CID 113446561
N-(2-bromoethyl)-3-methyl-N-propylpyridin-2-amine
CID 80674717
N-(azetidin-3-yl)-N,2-dimethylpyrazolo[1,5-a]pyrazin-4-amine
CID 104732673

Frequently Asked Questions

What is the IUPAC name of N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine (CID 104734102) is N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine is CCCN(CCBr)c1nccn2nc(C)cc12.
What is the InChIKey of N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is DWYSPOWXQICQAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17BrN4/c1-3-6-16(7-4-13)12-11-9-10(2)15-17(11)8-5-14-12/h5,8-9H,3-4,6-7H2,1-2H3.
What are the key properties of N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine?
N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 297.20 g/mol, XLogP of 2.65, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bromoethyl)-2-methyl-N-propylpyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 104734102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).