2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine

C13H22BrN3 — CID 114662324

IUPAC2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine
SMILESCCCn1ncc(Br)c1CC1CCC(C)CN1
InChIInChI=1S/C13H22BrN3/c1-3-6-17-13(12(14)9-16-17)7-11-5-4-10(2)8-15-11/h9-11,15H,3-8H2,1-2H3
InChIKeyTZCGANIBJCBKSQ-UHFFFAOYSA-N
MW300.24 g/mol
LogP2.99
Rot. Bonds4

About 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine

2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine (PubChem CID 114662324) has the molecular formula C13H22BrN3 and a molecular weight of 300.24 g/mol. Its IUPAC name is 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine.

Molecular Properties

Compound Name2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine
PubChem CID114662324
Molecular FormulaC13H22BrN3
Molecular Weight300.24 g/mol
Exact Mass299.10
IUPAC Name2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine
SMILESCCCn1ncc(Br)c1CC1CCC(C)CN1
InChIInChI=1S/C13H22BrN3/c1-3-6-17-13(12(14)9-16-17)7-11-5-4-10(2)8-15-11/h9-11,15H,3-8H2,1-2H3
InChIKeyTZCGANIBJCBKSQ-UHFFFAOYSA-N
XLogP2.99
TPSA29.85 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.24
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine 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-bromo-5-(oxiran-2-ylmethyl)-1-propylpyrazole
CID 114667610
2-[(4-bromo-1-methylpyrazol-5-yl)methyl]piperidine
CID 114662235
2-(4-bromo-1-propylpyrazol-5-yl)ethanamine
CID 114662670
2-(4-bromo-1-propylpyrazol-5-yl)cyclobutan-1-amine
CID 114666406
1-(4-bromo-1-propylpyrazol-5-yl)-N-methyl-1-(3-methylcyclopentyl)methanamine
CID 114655664
4-bromo-5-(3-chlorocyclopenten-1-yl)-1-propylpyrazole
CID 114665700
4-bromo-5-[(2-methylpiperidin-4-yl)amino]-2-propylpyridazin-3-one
CID 106996089
2-[[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]methyl]-1,2,3,4-tetrahydroquinoline
CID 114662297
4-bromo-5-(2-bromocyclohexyl)-1-propylpyrazole
CID 114662597
2-[(4-chloro-1-propylpyrazol-5-yl)methyl]-1,2,3,4-tetrahydroquinoline
CID 114662301
N-[(4-bromo-1-propylpyrazol-5-yl)-(3-methylcyclopentyl)methyl]propan-1-amine
CID 114655691
2-(8-azabicyclo[3.2.1]octan-3-yl)-1-(4-bromo-1-propylpyrazol-5-yl)ethanone
CID 114670083

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine?
The IUPAC name of 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine (CID 114662324) is 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine.
What is the SMILES notation for 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine?
The canonical SMILES for 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine is CCCn1ncc(Br)c1CC1CCC(C)CN1.
What is the InChIKey of 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine?
The InChIKey is TZCGANIBJCBKSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22BrN3/c1-3-6-17-13(12(14)9-16-17)7-11-5-4-10(2)8-15-11/h9-11,15H,3-8H2,1-2H3.
What are the key properties of 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine?
2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine has a molecular weight of 300.24 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-1-propylpyrazol-5-yl)methyl]-5-methylpiperidine is sourced from PubChem (CID 114662324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).