4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine

C10H18BrN3S — CID 107084982

IUPAC4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine
SMILESCSCCN(C)c1c(CBr)c(C)nn1C
InChIInChI=1S/C10H18BrN3S/c1-8-9(7-11)10(14(3)12-8)13(2)5-6-15-4/h5-7H2,1-4H3
InChIKeyALTLNYNFWNJMAG-UHFFFAOYSA-N
MW292.25 g/mol
LogP2.42
Rot. Bonds5

About 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine

4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine (PubChem CID 107084982) has the molecular formula C10H18BrN3S and a molecular weight of 292.25 g/mol. Its IUPAC name is 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine.

Molecular Properties

Compound Name4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine
PubChem CID107084982
Molecular FormulaC10H18BrN3S
Molecular Weight292.25 g/mol
Exact Mass291.04
IUPAC Name4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine
SMILESCSCCN(C)c1c(CBr)c(C)nn1C
InChIInChI=1S/C10H18BrN3S/c1-8-9(7-11)10(14(3)12-8)13(2)5-6-15-4/h5-7H2,1-4H3
InChIKeyALTLNYNFWNJMAG-UHFFFAOYSA-N
XLogP2.42
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.25
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

[1,3-dimethyl-5-[methyl(2-methylsulfanylethyl)amino]pyrazol-4-yl]methanol
CID 112661702
4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
CID 107079390
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
CID 107080060
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60961185
4-(bromomethyl)-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylpyrazol-5-amine
CID 107084904
2-[[4-(ethylaminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]ethanol
CID 60960906
1-[[4-(aminomethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-2-ol
CID 62336030
4-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 107083062
N-butyl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43280698
4-(2-aminoethyl)-N,1,3-trimethyl-N-[(2-methylcyclopropyl)methyl]pyrazol-5-amine
CID 63865652
4-(ethylaminomethyl)-N,1,3-trimethyl-N-(2-methylsulfonylethyl)pyrazol-5-amine
CID 79850033
N-butyl-4-[(cyclopropylamino)methyl]-N,1,3-trimethylpyrazol-5-amine
CID 43280696

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine?
The IUPAC name of 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine (CID 107084982) is 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine.
What is the SMILES notation for 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine?
The canonical SMILES for 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine is CSCCN(C)c1c(CBr)c(C)nn1C.
What is the InChIKey of 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine?
The InChIKey is ALTLNYNFWNJMAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18BrN3S/c1-8-9(7-11)10(14(3)12-8)13(2)5-6-15-4/h5-7H2,1-4H3.
What are the key properties of 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine?
4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine has a molecular weight of 292.25 g/mol, XLogP of 2.42, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine is sourced from PubChem (CID 107084982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).