4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine

C11H20BrN3 — CID 107080060

IUPAC4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
SMILESCCC(C)N(C)c1c(CBr)c(C)nn1C
InChIInChI=1S/C11H20BrN3/c1-6-8(2)14(4)11-10(7-12)9(3)13-15(11)5/h8H,6-7H2,1-5H3
InChIKeyJJZHKZAKQRFVSE-UHFFFAOYSA-N
MW274.21 g/mol
LogP2.86
Rot. Bonds4

About 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine

4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine (PubChem CID 107080060) has the molecular formula C11H20BrN3 and a molecular weight of 274.21 g/mol. Its IUPAC name is 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine.

Molecular Properties

Compound Name4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
PubChem CID107080060
Molecular FormulaC11H20BrN3
Molecular Weight274.21 g/mol
Exact Mass273.08
IUPAC Name4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine
SMILESCCC(C)N(C)c1c(CBr)c(C)nn1C
InChIInChI=1S/C11H20BrN3/c1-6-8(2)14(4)11-10(7-12)9(3)13-15(11)5/h8H,6-7H2,1-5H3
InChIKeyJJZHKZAKQRFVSE-UHFFFAOYSA-N
XLogP2.86
TPSA21.06 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.21
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-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

4-(bromomethyl)-N,1,3-trimethyl-N-propan-2-ylpyrazol-5-amine
CID 107079390
N-butan-2-yl-N,1,3-trimethyl-4-(propylaminomethyl)pyrazol-5-amine
CID 43281943
4-(bromomethyl)-N-butan-2-yl-N,3-dimethyl-1-phenylpyrazol-5-amine
CID 107080054
4-(bromomethyl)-N-[1-(4-chlorophenyl)ethyl]-N,1,3-trimethylpyrazol-5-amine
CID 107083062
2-[[4-(hydroxymethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]propan-1-ol
CID 104552650
4-(2-aminoethyl)-N,1,3-trimethyl-N-(4-methylpentan-2-yl)pyrazol-5-amine
CID 55237561
3-[[4-(chloromethyl)-1,3-dimethylpyrazol-5-yl]-methylamino]butanenitrile
CID 63223522
4-(bromomethyl)-N-(2-methoxyethyl)-1,3-dimethyl-N-propan-2-ylpyrazol-5-amine
CID 107084904
4-(bromomethyl)-N,1,3-trimethyl-N-(2-methylsulfanylethyl)pyrazol-5-amine
CID 107084982
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-pentan-2-ylpyrazol-5-amine
CID 63058622
4-[(tert-butylamino)methyl]-N,1,3-trimethyl-N-(1-methylsulfanylpropan-2-yl)pyrazol-5-amine
CID 115986343
4-(aminomethyl)-N,1,3-trimethyl-N-(2-methylbutyl)pyrazol-5-amine
CID 43296122

Frequently Asked Questions

What is the IUPAC name of 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine?
The IUPAC name of 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine (CID 107080060) is 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine.
What is the SMILES notation for 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine?
The canonical SMILES for 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine is CCC(C)N(C)c1c(CBr)c(C)nn1C.
What is the InChIKey of 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine?
The InChIKey is JJZHKZAKQRFVSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20BrN3/c1-6-8(2)14(4)11-10(7-12)9(3)13-15(11)5/h8H,6-7H2,1-5H3.
What are the key properties of 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine?
4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine has a molecular weight of 274.21 g/mol, XLogP of 2.86, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(bromomethyl)-N-butan-2-yl-N,1,3-trimethylpyrazol-5-amine is sourced from PubChem (CID 107080060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).