1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

C8H14BrN3 — CID 83840801

IUPAC1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1c(Br)cnn1C
InChIInChI=1S/C8H14BrN3/c1-4-7(10-2)8-6(9)5-11-12(8)3/h5,7,10H,4H2,1-3H3
InChIKeyRZXFBSVRAQVBLJ-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.85
Rot. Bonds3

About 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine

1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (PubChem CID 83840801) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.

Molecular Properties

Compound Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
PubChem CID83840801
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
SMILESCCC(NC)c1c(Br)cnn1C
InChIInChI=1S/C8H14BrN3/c1-4-7(10-2)8-6(9)5-11-12(8)3/h5,7,10H,4H2,1-3H3
InChIKeyRZXFBSVRAQVBLJ-UHFFFAOYSA-N
XLogP1.85
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(4-bromo-1-methylpyrazol-5-yl)-N',N'-diethyl-N-methylpropane-1,3-diamine
CID 114657146
1-(4-bromo-1-methylpyrazol-5-yl)-4,4,4-trifluoro-N-methylbutan-1-amine
CID 114657995
1-(4-bromo-1-methylpyrazol-5-yl)-3-methoxy-N,3-dimethylbutan-1-amine
CID 103029500
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3,5-dimethylphenyl)-N-methylethanamine
CID 114649591
1-(4-bromo-1-methylpyrazol-5-yl)butylhydrazine
CID 105202210
1-(4-bromo-1-methylpyrazol-5-yl)-2-(4-bromophenyl)sulfanyl-N-methylethanamine
CID 114656027
1-(4-bromo-1-methylpyrazol-5-yl)-N-propylbutan-1-amine
CID 114647947
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethylpentan-1-amine
CID 114657465
1-(4-bromo-1-methylpyrazol-5-yl)-N-methyl-2-phenylbutan-1-amine
CID 105054099
[1-(4-bromo-1-methylpyrazol-5-yl)-2-ethylbutyl]hydrazine
CID 105342070
1-(4-bromo-1-methylpyrazol-5-yl)-N-ethyl-N',N'-dimethylpropane-1,3-diamine
CID 114659492
1-(4-bromo-1-methylpyrazol-5-yl)-2-(3-bromophenyl)sulfanyl-N-methylethanamine
CID 114656359

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The IUPAC name of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine (CID 83840801) is 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine.
What is the SMILES notation for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The canonical SMILES for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is CCC(NC)c1c(Br)cnn1C.
What is the InChIKey of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
The InChIKey is RZXFBSVRAQVBLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-4-7(10-2)8-6(9)5-11-12(8)3/h5,7,10H,4H2,1-3H3.
What are the key properties of 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine?
1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine has a molecular weight of 232.12 g/mol, XLogP of 1.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-1-methylpyrazol-5-yl)-N-methylpropan-1-amine is sourced from PubChem (CID 83840801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).