N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

C11H12BrF3N4 — CID 113446668

IUPACN-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(CBr)N(C)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12BrF3N4/c1-7(6-12)18(2)10-8-5-9(11(13,14)15)17-19(8)4-3-16-10/h3-5,7H,6H2,1-2H3
InChIKeyOQSQDHKFRTYZJO-UHFFFAOYSA-N
MW337.14 g/mol
LogP2.97
Rot. Bonds3

About N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine

N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (PubChem CID 113446668) has the molecular formula C11H12BrF3N4 and a molecular weight of 337.14 g/mol. Its IUPAC name is N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.

Molecular Properties

Compound NameN-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
PubChem CID113446668
Molecular FormulaC11H12BrF3N4
Molecular Weight337.14 g/mol
Exact Mass336.02
IUPAC NameN-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
SMILESCC(CBr)N(C)c1nccn2nc(C(F)(F)F)cc12
InChIInChI=1S/C11H12BrF3N4/c1-7(6-12)18(2)10-8-5-9(11(13,14)15)17-19(8)4-3-16-10/h3-5,7H,6H2,1-2H3
InChIKeyOQSQDHKFRTYZJO-UHFFFAOYSA-N
XLogP2.97
TPSA33.43 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.14
LogP ≤ 52.97
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

3-[methyl-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]butanenitrile
CID 104729975
3-[(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-methylamino]butanenitrile
CID 104729977
2-N,2-N-dimethyl-1-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104730897
N-(2-chloroethyl)-N-ethyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 113446611
N-methyl-N'-propyl-N'-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]ethane-1,2-diamine
CID 104733689
1-N,1-N-dimethyl-2-N-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]propane-1,2-diamine
CID 104732002
N-(2-methylbutyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731373
1-N-(2-tert-butylpyrazolo[1,5-a]pyrazin-4-yl)-1-N-methylpropane-1,2-diamine
CID 104734218
N-(5-methylhexyl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104731951
N,N-dimethyl-2-[[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]amino]propanamide
CID 104731044
N-(4-methylpentan-2-yl)-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine
CID 104730626
2-[2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-yl]sulfanylpropan-1-ol
CID 113446440

Frequently Asked Questions

What is the IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The IUPAC name of N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine (CID 113446668) is N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine.
What is the SMILES notation for N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The canonical SMILES for N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is CC(CBr)N(C)c1nccn2nc(C(F)(F)F)cc12.
What is the InChIKey of N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
The InChIKey is OQSQDHKFRTYZJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrF3N4/c1-7(6-12)18(2)10-8-5-9(11(13,14)15)17-19(8)4-3-16-10/h3-5,7H,6H2,1-2H3.
What are the key properties of N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine?
N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine has a molecular weight of 337.14 g/mol, XLogP of 2.97, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-bromopropan-2-yl)-N-methyl-2-(trifluoromethyl)pyrazolo[1,5-a]pyrazin-4-amine is sourced from PubChem (CID 113446668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).