N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

C11H17BrF2N4 — CID 162613136

IUPACN'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1Br)CC(F)(F)C2
InChIInChI=1S/C11H17BrF2N4/c1-15-3-4-17(2)6-8-10(12)9-5-11(13,14)7-18(9)16-8/h15H,3-7H2,1-2H3
InChIKeyCLTMCNZSMRWYON-UHFFFAOYSA-N
MW323.19 g/mol
LogP1.49
Rot. Bonds5

About N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine

N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (PubChem CID 162613136) has the molecular formula C11H17BrF2N4 and a molecular weight of 323.19 g/mol. Its IUPAC name is N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.

Molecular Properties

Compound NameN'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
PubChem CID162613136
Molecular FormulaC11H17BrF2N4
Molecular Weight323.19 g/mol
Exact Mass322.06
IUPAC NameN'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine
SMILESCNCCN(C)Cc1nn2c(c1Br)CC(F)(F)C2
InChIInChI=1S/C11H17BrF2N4/c1-15-3-4-17(2)6-8-10(12)9-5-11(13,14)7-18(9)16-8/h15H,3-7H2,1-2H3
InChIKeyCLTMCNZSMRWYON-UHFFFAOYSA-N
XLogP1.49
TPSA33.09 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.19
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The IUPAC name of N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine (CID 162613136) is N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine.
What is the SMILES notation for N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The canonical SMILES for N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is CNCCN(C)Cc1nn2c(c1Br)CC(F)(F)C2.
What is the InChIKey of N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
The InChIKey is CLTMCNZSMRWYON-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrF2N4/c1-15-3-4-17(2)6-8-10(12)9-5-11(13,14)7-18(9)16-8/h15H,3-7H2,1-2H3.
What are the key properties of N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine?
N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine has a molecular weight of 323.19 g/mol, XLogP of 1.49, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-[(3-bromo-5,5-difluoro-4,6-dihydropyrrolo[1,2-b]pyrazol-2-yl)methyl]-N,N'-dimethylethane-1,2-diamine is sourced from PubChem (CID 162613136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).