2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine

C8H14BrN3 — CID 83823996

IUPAC2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine
SMILESCC(C)c1[nH]nc(Br)c1CCN
InChIInChI=1S/C8H14BrN3/c1-5(2)7-6(3-4-10)8(9)12-11-7/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyRJMJGEBQLGRZOM-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.80
Rot. Bonds3

About 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine

2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine (PubChem CID 83823996) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine.

Molecular Properties

Compound Name2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine
PubChem CID83823996
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine
SMILESCC(C)c1[nH]nc(Br)c1CCN
InChIInChI=1S/C8H14BrN3/c1-5(2)7-6(3-4-10)8(9)12-11-7/h5H,3-4,10H2,1-2H3,(H,11,12)
InChIKeyRJMJGEBQLGRZOM-UHFFFAOYSA-N
XLogP1.80
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

4-(3-Bromopropyl)-3,5-dimethyl-1H-pyrazole
CID 129600822
3-bromo-5-methyl-4-(2,2,2-trifluoroethyl)-1H-pyrazole;ethane
CID 156733857
3,5-Dimethyl-4-propyl-1H-pyrazole
CID 12933275
3-[3-bromo-5-(trifluoromethyl)-1H-pyrazol-4-yl]propan-1-amine
CID 83826049
4-(bromomethyl)-5-isopropyl-3-(trifluoromethyl)-1H-pyrazole
CID 121211474
(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)methanamine
CID 121213205
2-(5-ethyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-amine
CID 121213237
2-(5-isopropyl-3-(trifluoromethyl)-1H-pyrazol-4-yl)ethan-1-amine
CID 121213238
3,4-dimethyl-5-(propan-2-yl)-1H-pyrazole
CID 2753108
2-[3-(1-amino-2-methylpropan-2-yl)-5-methyl-1H-pyrazol-4-yl]-2-methylpropan-1-amine
CID 21187128
3,4-dibromo-5-propan-2-yl-1H-pyrazole
CID 21536629
3,4-dibromo-5-propyl-1H-pyrazole
CID 21536644

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
The IUPAC name of 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine (CID 83823996) is 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine.
What is the SMILES notation for 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
The canonical SMILES for 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine is CC(C)c1[nH]nc(Br)c1CCN.
What is the InChIKey of 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
The InChIKey is RJMJGEBQLGRZOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-5(2)7-6(3-4-10)8(9)12-11-7/h5H,3-4,10H2,1-2H3,(H,11,12).
What are the key properties of 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine?
2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine has a molecular weight of 232.12 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-5-propan-2-yl-1H-pyrazol-4-yl)ethanamine is sourced from PubChem (CID 83823996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).