2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

C14H26BrN3 — CID 83160204

IUPAC2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1c(Br)c(C)nn1C)C(C)C
InChIInChI=1S/C14H26BrN3/c1-7-16-9-14(5,10(2)3)8-12-13(15)11(4)17-18(12)6/h10,16H,7-9H2,1-6H3
InChIKeyJUBWKGNLFVUAGG-UHFFFAOYSA-N
MW316.29 g/mol
LogP3.31
Rot. Bonds6

About 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine

2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (PubChem CID 83160204) has the molecular formula C14H26BrN3 and a molecular weight of 316.29 g/mol. Its IUPAC name is 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.

Molecular Properties

Compound Name2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
PubChem CID83160204
Molecular FormulaC14H26BrN3
Molecular Weight316.29 g/mol
Exact Mass315.13
IUPAC Name2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
SMILESCCNCC(C)(Cc1c(Br)c(C)nn1C)C(C)C
InChIInChI=1S/C14H26BrN3/c1-7-16-9-14(5,10(2)3)8-12-13(15)11(4)17-18(12)6/h10,16H,7-9H2,1-6H3
InChIKeyJUBWKGNLFVUAGG-UHFFFAOYSA-N
XLogP3.31
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.29
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-chloro-1,3-dimethylpyrazol-5-yl)methyl]-2,3-dimethyl-N-propylbutan-1-amine
CID 83159945
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methyl-3-(propylamino)propan-2-ol
CID 66040330
4-bromo-5-[2-(bromomethyl)-2-methylbutyl]-1,3-dimethylpyrazole
CID 66050936
N-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2,3,3-trimethylbutan-1-amine
CID 83144029
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(tert-butylamino)-2-methylpropan-2-ol
CID 66037988
3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-cyclopropyl-2-methyl-N-propylpropan-1-amine
CID 83159864
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-2-methylbutan-1-ol
CID 66058119
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086
1-amino-3-(4-bromo-1,3-dimethylpyrazol-5-yl)-2-methylpropan-2-ol
CID 66039829
2-[(4,5-dimethyl-1,3-thiazol-2-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine
CID 83159932
5-(4-bromo-1,3-dimethylpyrazol-5-yl)-N-ethylpent-3-en-1-amine
CID 79590293
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-3-(ethylamino)-3-methylbutan-2-one
CID 116566152

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The IUPAC name of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine (CID 83160204) is 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine.
What is the SMILES notation for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The canonical SMILES for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is CCNCC(C)(Cc1c(Br)c(C)nn1C)C(C)C.
What is the InChIKey of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
The InChIKey is JUBWKGNLFVUAGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26BrN3/c1-7-16-9-14(5,10(2)3)8-12-13(15)11(4)17-18(12)6/h10,16H,7-9H2,1-6H3.
What are the key properties of 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine?
2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine has a molecular weight of 316.29 g/mol, XLogP of 3.31, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]-N-ethyl-2,3-dimethylbutan-1-amine is sourced from PubChem (CID 83160204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).