4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine

C8H14BrN3 — CID 83911696

IUPAC4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine
SMILESCC(C)Cc1c(Br)c(N)nn1C
InChIInChI=1S/C8H14BrN3/c1-5(2)4-6-7(9)8(10)11-12(6)3/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyNAZDDGQOQACDRD-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.96
Rot. Bonds2

About 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine

4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine (PubChem CID 83911696) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine.

Molecular Properties

Compound Name4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine
PubChem CID83911696
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine
SMILESCC(C)Cc1c(Br)c(N)nn1C
InChIInChI=1S/C8H14BrN3/c1-5(2)4-6-7(9)8(10)11-12(6)3/h5H,4H2,1-3H3,(H2,10,11)
InChIKeyNAZDDGQOQACDRD-UHFFFAOYSA-N
XLogP1.96
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-1-methyl-5-pentylpyrazol-3-amine
CID 175073293
4-bromo-5-(3-bromo-2-methylpropyl)-1,3-dimethylpyrazole
CID 66049822
6-amino-4,5-dibromo-2-methylpyridazin-3-one
CID 170978635
4-bromo-5-[2-(chloromethyl)-3-methylbutyl]-3-ethyl-1-methylpyrazole
CID 66036122
4-bromo-5-(3-bromo-2-methylpropyl)-3-ethyl-1-methylpyrazole
CID 66048082
2-[(4-bromo-3-ethyl-1-methylpyrazol-5-yl)methyl]-3,3-dimethylbutan-1-amine
CID 83138601
1-methyl-5-(2-methylpropyl)-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 151575935
[1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methylbutan-2-yl]hydrazine
CID 105199615
5-ethyl-1,4-dimethylpyrazol-3-amine
CID 83815114
1-(4-bromo-3-ethyl-1-methylpyrazol-5-yl)-3-methoxybutan-2-amine
CID 79616432
5-bromo-6-tert-butyl-2-(2-methylpropyl)pyrimidin-4-amine
CID 66305009
1-(4-bromo-1,3-dimethylpyrazol-5-yl)-4,4-dimethylpentane-2,3-diol
CID 103457086

Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine?
The IUPAC name of 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine (CID 83911696) is 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine.
What is the SMILES notation for 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine?
The canonical SMILES for 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine is CC(C)Cc1c(Br)c(N)nn1C.
What is the InChIKey of 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine?
The InChIKey is NAZDDGQOQACDRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-5(2)4-6-7(9)8(10)11-12(6)3/h5H,4H2,1-3H3,(H2,10,11).
What are the key properties of 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine?
4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine has a molecular weight of 232.12 g/mol, XLogP of 1.96, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-methyl-5-(2-methylpropyl)pyrazol-3-amine is sourced from PubChem (CID 83911696), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).