3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine

C13H24BrN3 — CID 114664528

IUPAC3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
SMILESCCn1ncc(Br)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C13H24BrN3/c1-6-17-12(11(14)9-16-17)7-10(2)8-15-13(3,4)5/h9-10,15H,6-8H2,1-5H3
InChIKeyVCZGMSRFVCDFAX-UHFFFAOYSA-N
MW302.26 g/mol
LogP3.23
Rot. Bonds5

About 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine

3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine (PubChem CID 114664528) has the molecular formula C13H24BrN3 and a molecular weight of 302.26 g/mol. Its IUPAC name is 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine.

Molecular Properties

Compound Name3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
PubChem CID114664528
Molecular FormulaC13H24BrN3
Molecular Weight302.26 g/mol
Exact Mass301.12
IUPAC Name3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine
SMILESCCn1ncc(Br)c1CC(C)CNC(C)(C)C
InChIInChI=1S/C13H24BrN3/c1-6-17-12(11(14)9-16-17)7-10(2)8-15-13(3,4)5/h9-10,15H,6-8H2,1-5H3
InChIKeyVCZGMSRFVCDFAX-UHFFFAOYSA-N
XLogP3.23
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.26
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(4-bromo-1-ethylpyrazol-5-yl)ethyl]propan-2-amine
CID 114662776
N-tert-butyl-3-(1-ethylpyrazol-4-yl)-2-methylpropan-1-amine
CID 62530899
4-bromo-1,5-diethylpyrazole
CID 66959053
3-(4-bromo-1-ethylpyrazol-5-yl)-2-phenyl-N-propan-2-ylpropan-1-amine
CID 114667307
3-(4-bromo-1-methylpyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664458
3-(3-bromothiophen-2-yl)-N-tert-butyl-2-methylpropan-1-amine
CID 62528495
4-bromo-1-ethyl-5-propylpyrazole
CID 105470593
3-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-N-(2-methylpropyl)propan-1-amine
CID 114664544
N-[3-(4-bromo-1-methylpyrazol-5-yl)-2-phenylpropyl]-2-methylpropan-2-amine
CID 114667316
1-(4-bromo-1-ethylpyrazol-5-yl)-N,4-dimethylpentan-3-amine
CID 114664295
3-(1-ethyl-4-methoxypyrazol-5-yl)-N,2-dimethylpropan-1-amine
CID 114664456
4-(4-bromo-1-ethyl-3-methylpyrazol-5-yl)-N-tert-butyl-3-methylbutan-1-amine
CID 81018972

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine?
The IUPAC name of 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine (CID 114664528) is 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine.
What is the SMILES notation for 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine?
The canonical SMILES for 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine is CCn1ncc(Br)c1CC(C)CNC(C)(C)C.
What is the InChIKey of 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine?
The InChIKey is VCZGMSRFVCDFAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24BrN3/c1-6-17-12(11(14)9-16-17)7-10(2)8-15-13(3,4)5/h9-10,15H,6-8H2,1-5H3.
What are the key properties of 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine?
3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine has a molecular weight of 302.26 g/mol, XLogP of 3.23, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromo-1-ethylpyrazol-5-yl)-N-tert-butyl-2-methylpropan-1-amine is sourced from PubChem (CID 114664528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).