3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine

C14H17BrN4 — CID 67364972

IUPAC3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine
SMILESBrc1cncc(-c2cnn(CCN3CCCC3)c2)c1
InChIInChI=1S/C14H17BrN4/c15-14-7-12(8-16-10-14)13-9-17-19(11-13)6-5-18-3-1-2-4-18/h7-11H,1-6H2
InChIKeyVSDMKQAVOKGGHK-UHFFFAOYSA-N
MW321.22 g/mol
LogP2.80
Rot. Bonds4

About 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine

3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine (PubChem CID 67364972) has the molecular formula C14H17BrN4 and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine
PubChem CID67364972
Molecular FormulaC14H17BrN4
Molecular Weight321.22 g/mol
Exact Mass320.06
IUPAC Name3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine
SMILESBrc1cncc(-c2cnn(CCN3CCCC3)c2)c1
InChIInChI=1S/C14H17BrN4/c15-14-7-12(8-16-10-14)13-9-17-19(11-13)6-5-18-3-1-2-4-18/h7-11H,1-6H2
InChIKeyVSDMKQAVOKGGHK-UHFFFAOYSA-N
XLogP2.80
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-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

Frequently Asked Questions

What is the IUPAC name of 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine?
The IUPAC name of 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine (CID 67364972) is 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine.
What is the SMILES notation for 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine?
The canonical SMILES for 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine is Brc1cncc(-c2cnn(CCN3CCCC3)c2)c1.
What is the InChIKey of 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine?
The InChIKey is VSDMKQAVOKGGHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrN4/c15-14-7-12(8-16-10-14)13-9-17-19(11-13)6-5-18-3-1-2-4-18/h7-11H,1-6H2.
What are the key properties of 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine?
3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine has a molecular weight of 321.22 g/mol, XLogP of 2.80, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]pyridine is sourced from PubChem (CID 67364972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).