1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine

C13H26BrN5 — CID 114656523

IUPAC1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)CCn1ncc(Br)c1C(N)C(C)(C)N(C)C
InChIInChI=1S/C13H26BrN5/c1-13(2,18(5)6)12(15)11-10(14)9-16-19(11)8-7-17(3)4/h9,12H,7-8,15H2,1-6H3
InChIKeyYEBBDPABKCDBOM-UHFFFAOYSA-N
MW332.29 g/mol
LogP1.55
Rot. Bonds6

About 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine (PubChem CID 114656523) has the molecular formula C13H26BrN5 and a molecular weight of 332.29 g/mol. Its IUPAC name is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine.

Molecular Properties

Compound Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
PubChem CID114656523
Molecular FormulaC13H26BrN5
Molecular Weight332.29 g/mol
Exact Mass331.14
IUPAC Name1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
SMILESCN(C)CCn1ncc(Br)c1C(N)C(C)(C)N(C)C
InChIInChI=1S/C13H26BrN5/c1-13(2,18(5)6)12(15)11-10(14)9-16-19(11)8-7-17(3)4/h9,12H,7-8,15H2,1-6H3
InChIKeyYEBBDPABKCDBOM-UHFFFAOYSA-N
XLogP1.55
TPSA50.32 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.29
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
1-(4-bromo-1-methylpyrazol-5-yl)-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656521
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-ethoxy-2-ethylbutan-1-amine
CID 114661659
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2,2,2-trifluoroethanol
CID 114643507
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
2-[4-bromo-5-(2-tert-butylsulfanyl-1-hydrazinylethyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 105226390
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(2-bromophenyl)ethanamine
CID 114650069
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylbutane-1,2-diamine
CID 114656737
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-N,2-dimethylpropan-1-amine
CID 114647581
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-ol
CID 114635495
2-[5-[amino-(2-bromo-5-methylphenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 105041131
2-[5-[amino-(2-chlorophenyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 114649288

Frequently Asked Questions

What is the IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The IUPAC name of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine (CID 114656523) is 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine.
What is the SMILES notation for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The canonical SMILES for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine is CN(C)CCn1ncc(Br)c1C(N)C(C)(C)N(C)C.
What is the InChIKey of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
The InChIKey is YEBBDPABKCDBOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26BrN5/c1-13(2,18(5)6)12(15)11-10(14)9-16-19(11)8-7-17(3)4/h9,12H,7-8,15H2,1-6H3.
What are the key properties of 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine?
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine has a molecular weight of 332.29 g/mol, XLogP of 1.55, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine is sourced from PubChem (CID 114656523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).