2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine

C15H19ClN4 — CID 91836527

IUPAC2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine
SMILESCCc1nn(C)c(Cl)c1CN1CC(c2ccccn2)C1
InChIInChI=1S/C15H19ClN4/c1-3-13-12(15(16)19(2)18-13)10-20-8-11(9-20)14-6-4-5-7-17-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyNARKUMKBIONVJI-UHFFFAOYSA-N
MW290.80 g/mol
LogP2.63
Rot. Bonds4

About 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine

2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine (PubChem CID 91836527) has the molecular formula C15H19ClN4 and a molecular weight of 290.80 g/mol. Its IUPAC name is 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine.

Molecular Properties

Compound Name2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine
PubChem CID91836527
Molecular FormulaC15H19ClN4
Molecular Weight290.80 g/mol
Exact Mass290.13
IUPAC Name2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine
SMILESCCc1nn(C)c(Cl)c1CN1CC(c2ccccn2)C1
InChIInChI=1S/C15H19ClN4/c1-3-13-12(15(16)19(2)18-13)10-20-8-11(9-20)14-6-4-5-7-17-14/h4-7,11H,3,8-10H2,1-2H3
InChIKeyNARKUMKBIONVJI-UHFFFAOYSA-N
XLogP2.63
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.80
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-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

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine?
The IUPAC name of 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine (CID 91836527) is 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine.
What is the SMILES notation for 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine?
The canonical SMILES for 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine is CCc1nn(C)c(Cl)c1CN1CC(c2ccccn2)C1.
What is the InChIKey of 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine?
The InChIKey is NARKUMKBIONVJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4/c1-3-13-12(15(16)19(2)18-13)10-20-8-11(9-20)14-6-4-5-7-17-14/h4-7,11H,3,8-10H2,1-2H3.
What are the key properties of 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine?
2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine has a molecular weight of 290.80 g/mol, XLogP of 2.63, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]azetidin-3-yl]pyridine is sourced from PubChem (CID 91836527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).