1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine

C8H14BrN3 — CID 107859736

IUPAC1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(CBr)NCc1ccn(C)n1
InChIInChI=1S/C8H14BrN3/c1-7(5-9)10-6-8-3-4-12(2)11-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyCWKFIWOYRFWVSY-UHFFFAOYSA-N
MW232.12 g/mol
LogP1.29
Rot. Bonds4

About 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine

1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine (PubChem CID 107859736) has the molecular formula C8H14BrN3 and a molecular weight of 232.12 g/mol. Its IUPAC name is 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine.

Molecular Properties

Compound Name1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
PubChem CID107859736
Molecular FormulaC8H14BrN3
Molecular Weight232.12 g/mol
Exact Mass231.04
IUPAC Name1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
SMILESCC(CBr)NCc1ccn(C)n1
InChIInChI=1S/C8H14BrN3/c1-7(5-9)10-6-8-3-4-12(2)11-8/h3-4,7,10H,5-6H2,1-2H3
InChIKeyCWKFIWOYRFWVSY-UHFFFAOYSA-N
XLogP1.29
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.12
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-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

5-methyl-N-[(1-methylpyrazol-3-yl)methyl]hexan-2-amine
CID 78920997
N-[(1-methylpyrazol-3-yl)methyl]-1-methylsulfanylpropan-2-amine
CID 115639713
3-methyl-N-[(1-methylpyrazol-3-yl)methyl]butan-2-amine
CID 78920945
5-chloro-N-[(1-methylpyrazol-3-yl)methyl]pentan-2-amine
CID 82871909
3-[(1-methylpyrazol-3-yl)methylamino]butan-2-ol
CID 82882501
1-(4-chlorophenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 113230700
N-[(1-methylpyrazol-3-yl)methyl]-1-morpholin-4-ylpropan-2-amine
CID 78921223
N-[(1-methylpyrazol-3-yl)methyl]-1-[5-[(propan-2-ylamino)methyl]furan-2-yl]propan-2-amine
CID 156571070
3-methyl-2-[(1-methylpyrazol-3-yl)methylamino]butanoic acid
CID 82869167
1-(3,4-dimethoxyphenyl)-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine
CID 78947948
2-chloro-N-[(1-methylpyrazol-3-yl)methyl]propan-1-amine
CID 82871684
(1R)-1-(3-bromophenyl)-N-[(1-methylpyrazol-3-yl)methyl]ethanamine
CID 82865696

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The IUPAC name of 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine (CID 107859736) is 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine.
What is the SMILES notation for 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The canonical SMILES for 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine is CC(CBr)NCc1ccn(C)n1.
What is the InChIKey of 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
The InChIKey is CWKFIWOYRFWVSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14BrN3/c1-7(5-9)10-6-8-3-4-12(2)11-8/h3-4,7,10H,5-6H2,1-2H3.
What are the key properties of 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine?
1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine has a molecular weight of 232.12 g/mol, XLogP of 1.29, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-[(1-methylpyrazol-3-yl)methyl]propan-2-amine is sourced from PubChem (CID 107859736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).