1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone

C13H20ClN3O3 — CID 114669264

IUPAC1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
SMILESCOCCn1ncc(Cl)c1C(=O)COC1CCNCC1
InChIInChI=1S/C13H20ClN3O3/c1-19-7-6-17-13(11(14)8-16-17)12(18)9-20-10-2-4-15-5-3-10/h8,10,15H,2-7,9H2,1H3
InChIKeyFOMHWTGZPMLXEU-UHFFFAOYSA-N
MW301.77 g/mol
LogP1.13
Rot. Bonds7

About 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone

1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone (PubChem CID 114669264) has the molecular formula C13H20ClN3O3 and a molecular weight of 301.77 g/mol. Its IUPAC name is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone.

Molecular Properties

Compound Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
PubChem CID114669264
Molecular FormulaC13H20ClN3O3
Molecular Weight301.77 g/mol
Exact Mass301.12
IUPAC Name1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
SMILESCOCCn1ncc(Cl)c1C(=O)COC1CCNCC1
InChIInChI=1S/C13H20ClN3O3/c1-19-7-6-17-13(11(14)8-16-17)12(18)9-20-10-2-4-15-5-3-10/h8,10,15H,2-7,9H2,1H3
InChIKeyFOMHWTGZPMLXEU-UHFFFAOYSA-N
XLogP1.13
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.77
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone 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-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
1-(4-methoxy-1-methylpyrazol-5-yl)-2-piperidin-4-yloxyethanone
CID 114669257
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-phenoxyethanone
CID 114639797
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
CID 114668048
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]decan-1-one
CID 115815131
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanone
CID 115815281
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylpentan-1-one
CID 115815222
[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669906
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-(oxan-2-yl)propan-1-one
CID 115815317
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2,2-dimethoxyethanone
CID 114641389
(1-aminocyclopropyl)-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669526

Frequently Asked Questions

What is the IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone?
The IUPAC name of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone (CID 114669264) is 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone.
What is the SMILES notation for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone?
The canonical SMILES for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone is COCCn1ncc(Cl)c1C(=O)COC1CCNCC1.
What is the InChIKey of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone?
The InChIKey is FOMHWTGZPMLXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20ClN3O3/c1-19-7-6-17-13(11(14)8-16-17)12(18)9-20-10-2-4-15-5-3-10/h8,10,15H,2-7,9H2,1H3.
What are the key properties of 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone?
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone has a molecular weight of 301.77 g/mol, XLogP of 1.13, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone is sourced from PubChem (CID 114669264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).