2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

C13H23BrN4O — CID 105040993

IUPAC2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCC1CCC(C(N)c2c(Br)cnn2CCN(C)C)O1
InChIInChI=1S/C13H23BrN4O/c1-9-4-5-11(19-9)12(15)13-10(14)8-16-18(13)7-6-17(2)3/h8-9,11-12H,4-7,15H2,1-3H3
InChIKeyMAHCJNIAYSFSPP-UHFFFAOYSA-N
MW331.26 g/mol
LogP1.77
Rot. Bonds5

About 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine

2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (PubChem CID 105040993) has the molecular formula C13H23BrN4O and a molecular weight of 331.26 g/mol. Its IUPAC name is 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.

Molecular Properties

Compound Name2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
PubChem CID105040993
Molecular FormulaC13H23BrN4O
Molecular Weight331.26 g/mol
Exact Mass330.11
IUPAC Name2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
SMILESCC1CCC(C(N)c2c(Br)cnn2CCN(C)C)O1
InChIInChI=1S/C13H23BrN4O/c1-9-4-5-11(19-9)12(15)13-10(14)8-16-18(13)7-6-17(2)3/h8-9,11-12H,4-7,15H2,1-3H3
InChIKeyMAHCJNIAYSFSPP-UHFFFAOYSA-N
XLogP1.77
TPSA56.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.26
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromo-1-ethylpyrazol-5-yl)-(5-methyloxolan-2-yl)methanamine
CID 105040053
2-[5-[amino-(2-methylcyclopentyl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 107190968
2-[5-[amino-(4-methylthiomorpholin-3-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine
CID 106444624
[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(5-methyloxolan-3-yl)methanol
CID 115834962
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-3-(oxolan-2-yl)propan-1-amine
CID 105041029
2-[4-bromo-5-[hydrazinyl-(2-methyloxolan-3-yl)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105336500
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-N,2-N,2-trimethylpropane-1,2-diamine
CID 114656523
1-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methyl-2-pyrrolidin-1-ylpropan-1-amine
CID 114656621
2-[5-[amino(oxolan-2-yl)methyl]-4-methoxypyrazol-1-yl]-N,N-dimethylethanamine
CID 114654585
3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]butan-1-amine
CID 114666504
2-[4-bromo-5-[1,4-dioxan-2-yl(methylamino)methyl]pyrazol-1-yl]-N,N-dimethylethanamine
CID 105041124
N-[3-[4-bromo-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-methylbutyl]cyclopropanamine
CID 114666856

Frequently Asked Questions

What is the IUPAC name of 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The IUPAC name of 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine (CID 105040993) is 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine.
What is the SMILES notation for 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The canonical SMILES for 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is CC1CCC(C(N)c2c(Br)cnn2CCN(C)C)O1.
What is the InChIKey of 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
The InChIKey is MAHCJNIAYSFSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN4O/c1-9-4-5-11(19-9)12(15)13-10(14)8-16-18(13)7-6-17(2)3/h8-9,11-12H,4-7,15H2,1-3H3.
What are the key properties of 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine?
2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine has a molecular weight of 331.26 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[amino-(5-methyloxolan-2-yl)methyl]-4-bromopyrazol-1-yl]-N,N-dimethylethanamine is sourced from PubChem (CID 105040993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).