4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole

Name: 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

C₁₆H₂₆ClN₃ — CID 115927269

Data last refreshed: 2026-04-15 (MolForge compound catalog, from PubChem)

IUPAC4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole

SMILESCCc1nn(CC)c(CC2(C3CCCC3)CNC2)c1Cl

InChIInChI=1S/C16H26ClN3/c1-3-13-15(17)14(20(4-2)19-13)9-16(10-18-11-16)12-7-5-6-8-12/h12,18H,3-11H2,1-2H3

InChIKeyYGGVKYNTGTWJJB-UHFFFAOYSA-N

MW295.86 g/mol

LogP3.44

Rot. Bonds5

About 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole

4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole (PubChem CID 115927269) has the molecular formula C₁₆H₂₆ClN₃ and a molecular weight of 295.86 g/mol. Its IUPAC name is 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole.

Molecular Properties

Compound Name	4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
PubChem CID	115927269
Molecular Formula	C₁₆H₂₆ClN₃
Molecular Weight	295.86 g/mol
Exact Mass	295.18
IUPAC Name	4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole
SMILES	CCc1nn(CC)c(CC2(C3CCCC3)CNC2)c1Cl
InChI	InChI=1S/C16H26ClN3/c1-3-13-15(17)14(20(4-2)19-13)9-16(10-18-11-16)12-7-5-6-8-12/h12,18H,3-11H2,1-2H3
InChIKey	YGGVKYNTGTWJJB-UHFFFAOYSA-N
XLogP	3.44
TPSA	29.85 Å²
H-Bond Donors	1
H-Bond Acceptors	3
Rotatable Bonds	5
Heavy Atoms	20
Complexity	—

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	295.86
LogP ≤ 5	3.44
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole?

The IUPAC name of 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole (CID 115927269) is 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole.

What is the SMILES notation for 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole?

The canonical SMILES for 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole is CCc1nn(CC)c(CC2(C3CCCC3)CNC2)c1Cl.

What is the InChIKey of 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole?

The InChIKey is YGGVKYNTGTWJJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26ClN3/c1-3-13-15(17)14(20(4-2)19-13)9-16(10-18-11-16)12-7-5-6-8-12/h12,18H,3-11H2,1-2H3.

What are the key properties of 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole?

4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole has a molecular weight of 295.86 g/mol, XLogP of 3.44, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for 4-chloro-5-[(3-cyclopentylazetidin-3-yl)methyl]-1,3-diethylpyrazole is sourced from PubChem (CID 115927269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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Sources

PubChem CID 115927269 — identifiers, structure, computed properties (public domain)

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