2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine

C13H24BrN3 — CID 62446749

IUPAC2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine
SMILESCCC(CNC(C)(C)C)n1nc(C)c(Br)c1C
InChIInChI=1S/C13H24BrN3/c1-7-11(8-15-13(4,5)6)17-10(3)12(14)9(2)16-17/h11,15H,7-8H2,1-6H3
InChIKeyZHOXDNZFWZQDEF-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.60
Rot. Bonds4

About 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine

2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine (PubChem CID 62446749) has the molecular formula C13H24BrN3 and a molecular weight of 302.26 g/mol. Its IUPAC name is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine.

Molecular Properties

Compound Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine
PubChem CID62446749
Molecular FormulaC13H24BrN3
Molecular Weight302.26 g/mol
Exact Mass301.12
IUPAC Name2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine
SMILESCCC(CNC(C)(C)C)n1nc(C)c(Br)c1C
InChIInChI=1S/C13H24BrN3/c1-7-11(8-15-13(4,5)6)17-10(3)12(14)9(2)16-17/h11,15H,7-8H2,1-6H3
InChIKeyZHOXDNZFWZQDEF-UHFFFAOYSA-N
XLogP3.60
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromo-3,5-dimethylpyrazol-1-yl)-3-(tert-butylamino)propan-2-ol
CID 115475694
1-[bis(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]-4-bromo-3,5-dimethylpyrazole
CID 15039839
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-ethylbutan-1-amine
CID 62447877
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-2-methyl-N-propan-2-ylbutan-1-amine
CID 79409091
ethyl 2-(4-bromo-3,5-dimethylpyrazol-1-yl)butanoate
CID 64662464
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 81018972
N-[[5-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]thiophen-2-yl]methyl]-2-methylpropan-2-amine
CID 107557701
N-[[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]-2-methylpropan-2-amine
CID 62448799
2-(4-bromo-3,5-dimethylpyrazol-1-yl)propan-1-amine
CID 62129229
N-tert-butyl-2-(4-chloro-3-methylpyrazol-1-yl)pentan-1-amine
CID 83044250
N-[2-(4-bromo-3,5-dimethylpyrazol-1-yl)ethyl]butan-2-amine
CID 62565845
3-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-(2-methylpropyl)butan-1-amine
CID 62448251

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine?
The IUPAC name of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine (CID 62446749) is 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine.
What is the SMILES notation for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine?
The canonical SMILES for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine is CCC(CNC(C)(C)C)n1nc(C)c(Br)c1C.
What is the InChIKey of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine?
The InChIKey is ZHOXDNZFWZQDEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3/c1-7-11(8-15-13(4,5)6)17-10(3)12(14)9(2)16-17/h11,15H,7-8H2,1-6H3.
What are the key properties of 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine?
2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine has a molecular weight of 302.26 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-3,5-dimethylpyrazol-1-yl)-N-tert-butylbutan-1-amine is sourced from PubChem (CID 62446749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).