5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

C9H12BrN3 — CID 19751509

IUPAC5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2[nH]ncc2Br)C1
InChIInChI=1S/C9H12BrN3/c1-13-4-2-3-7(6-13)9-8(10)5-11-12-9/h3,5H,2,4,6H2,1H3,(H,11,12)
InChIKeyDNPHEHVRTKSZFN-UHFFFAOYSA-N
MW242.12 g/mol
LogP1.89
Rot. Bonds1

About 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine

5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (PubChem CID 19751509) has the molecular formula C9H12BrN3 and a molecular weight of 242.12 g/mol. Its IUPAC name is 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.

Molecular Properties

Compound Name5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
PubChem CID19751509
Molecular FormulaC9H12BrN3
Molecular Weight242.12 g/mol
Exact Mass241.02
IUPAC Name5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine
SMILESCN1CCC=C(c2[nH]ncc2Br)C1
InChIInChI=1S/C9H12BrN3/c1-13-4-2-3-7(6-13)9-8(10)5-11-12-9/h3,5H,2,4,6H2,1H3,(H,11,12)
InChIKeyDNPHEHVRTKSZFN-UHFFFAOYSA-N
XLogP1.89
TPSA31.92 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.12
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The IUPAC name of 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine (CID 19751509) is 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine.
What is the SMILES notation for 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The canonical SMILES for 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is CN1CCC=C(c2[nH]ncc2Br)C1.
What is the InChIKey of 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
The InChIKey is DNPHEHVRTKSZFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrN3/c1-13-4-2-3-7(6-13)9-8(10)5-11-12-9/h3,5H,2,4,6H2,1H3,(H,11,12).
What are the key properties of 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine?
5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine has a molecular weight of 242.12 g/mol, XLogP of 1.89, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromo-1H-pyrazol-5-yl)-1-methyl-3,6-dihydro-2H-pyridine is sourced from PubChem (CID 19751509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).