[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone

C12H17ClN2O3 — CID 115815285

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1CCCCO1
InChIInChI=1S/C12H17ClN2O3/c1-17-7-5-15-11(9(13)8-14-15)12(16)10-4-2-3-6-18-10/h8,10H,2-7H2,1H3
InChIKeyXAYGZAAFIORJEZ-UHFFFAOYSA-N
MW272.73 g/mol
LogP1.93
Rot. Bonds5

About [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone (PubChem CID 115815285) has the molecular formula C12H17ClN2O3 and a molecular weight of 272.73 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
PubChem CID115815285
Molecular FormulaC12H17ClN2O3
Molecular Weight272.73 g/mol
Exact Mass272.09
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1CCCCO1
InChIInChI=1S/C12H17ClN2O3/c1-17-7-5-15-11(9(13)8-14-15)12(16)10-4-2-3-6-18-10/h8,10H,2-7H2,1H3
InChIKeyXAYGZAAFIORJEZ-UHFFFAOYSA-N
XLogP1.93
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.73
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone 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-(oxan-2-yl)propan-1-one
CID 115815317
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanone
CID 115815281
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
CID 114668048
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-3-yl)methanone
CID 115815123
[2-(aminomethyl)cyclopentyl]-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]methanone
CID 114669906
(4-bromo-1-propylpyrazol-5-yl)-(oxan-2-yl)methanone
CID 115804718
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-(oxan-2-yl)ethanol
CID 114645474
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-3-methylbutan-1-one
CID 114639108
[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-(4-methylmorpholin-2-yl)methanone
CID 114641317
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
CID 114669264
1-[4-chloro-1-[2-(dimethylamino)ethyl]pyrazol-5-yl]-2-(oxan-2-yl)ethanone
CID 114642354
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-hydroxy-3,3-dimethylbutan-1-one
CID 103456331

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone (CID 115815285) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone is COCCn1ncc(Cl)c1C(=O)C1CCCCO1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone?
The InChIKey is XAYGZAAFIORJEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17ClN2O3/c1-17-7-5-15-11(9(13)8-14-15)12(16)10-4-2-3-6-18-10/h8,10H,2-7H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone has a molecular weight of 272.73 g/mol, XLogP of 1.93, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone is sourced from PubChem (CID 115815285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).