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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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).