2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine

C11H12BrN3 — CID 121211655

IUPAC2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine
SMILESCCn1cc(CBr)c(-c2ccccn2)n1
InChIInChI=1S/C11H12BrN3/c1-2-15-8-9(7-12)11(14-15)10-5-3-4-6-13-10/h3-6,8H,2,7H2,1H3
InChIKeyVFSMQRKGSNVKMU-UHFFFAOYSA-N
MW266.14 g/mol
LogP2.86
Rot. Bonds3

About 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine

2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine (PubChem CID 121211655) has the molecular formula C11H12BrN3 and a molecular weight of 266.14 g/mol. Its IUPAC name is 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine.

Molecular Properties

Compound Name2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine
PubChem CID121211655
Molecular FormulaC11H12BrN3
Molecular Weight266.14 g/mol
Exact Mass265.02
IUPAC Name2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine
SMILESCCn1cc(CBr)c(-c2ccccn2)n1
InChIInChI=1S/C11H12BrN3/c1-2-15-8-9(7-12)11(14-15)10-5-3-4-6-13-10/h3-6,8H,2,7H2,1H3
InChIKeyVFSMQRKGSNVKMU-UHFFFAOYSA-N
XLogP2.86
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.14
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine 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

1-[(2-bromophenyl)methyl]-3-pyridin-2-ylpyrazol-4-amine
CID 83222254
[1-(cyclopropylmethyl)-3-pyridin-2-ylpyrazol-4-yl]methanol
CID 121213327
2,3-bis(bromomethyl)-5,6-dipyridin-2-ylpyrazine
CID 11582517
1-benzyl-3-pyridin-2-ylpyrazol-4-amine
CID 83216358
propane;2-pyridin-2-ylpyridine
CID 158168510
2-(1-methyl-3-pyridin-2-ylpyrazol-4-yl)acetaldehyde
CID 121213765
ethane;3-propyl-2-pyridin-2-ylpyridine
CID 144702934
2-methyl-N-[(1-methyl-3-pyridin-2-ylpyrazol-4-yl)methyl]propan-2-amine
CID 79485465
cobalt;ethane;tris(2-pyridin-2-ylpyridine)
CID 161013986
1-ethoxy-3-pyridin-2-ylpyrazol-4-ol
CID 141134949
2-(4-bromo-1-ethylpyrazol-3-yl)-6-methylpyridine
CID 150705653
5-(1-ethylpyrazol-4-yl)-3-pyridin-2-yl-1H-pyrazolo[3,4-c]pyridine
CID 71253332

Frequently Asked Questions

What is the IUPAC name of 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine?
The IUPAC name of 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine (CID 121211655) is 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine.
What is the SMILES notation for 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine?
The canonical SMILES for 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine is CCn1cc(CBr)c(-c2ccccn2)n1.
What is the InChIKey of 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine?
The InChIKey is VFSMQRKGSNVKMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrN3/c1-2-15-8-9(7-12)11(14-15)10-5-3-4-6-13-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine?
2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine has a molecular weight of 266.14 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(bromomethyl)-1-ethylpyrazol-3-yl]pyridine is sourced from PubChem (CID 121211655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).