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

C12H18ClN3O2 — CID 114668048

IUPAC[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1CCCCN1
InChIInChI=1S/C12H18ClN3O2/c1-18-7-6-16-11(9(13)8-15-16)12(17)10-4-2-3-5-14-10/h8,10,14H,2-7H2,1H3
InChIKeyDZFMZHHNYWUPSK-UHFFFAOYSA-N
MW271.75 g/mol
LogP1.51
Rot. Bonds5

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

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone (PubChem CID 114668048) has the molecular formula C12H18ClN3O2 and a molecular weight of 271.75 g/mol. Its IUPAC name is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone.

Molecular Properties

Compound Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
PubChem CID114668048
Molecular FormulaC12H18ClN3O2
Molecular Weight271.75 g/mol
Exact Mass271.11
IUPAC Name[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone
SMILESCOCCn1ncc(Cl)c1C(=O)C1CCCCN1
InChIInChI=1S/C12H18ClN3O2/c1-18-7-6-16-11(9(13)8-15-16)12(17)10-4-2-3-5-14-10/h8,10,14H,2-7H2,1H3
InChIKeyDZFMZHHNYWUPSK-UHFFFAOYSA-N
XLogP1.51
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.75
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(oxan-2-yl)methanone
CID 115815285
(4-chloro-1-propan-2-ylpyrazol-5-yl)-piperidin-2-ylmethanone
CID 114668046
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(2-methyloxolan-3-yl)methanone
CID 115815281
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(5-methyloxolan-3-yl)methanone
CID 115815123
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-piperidin-4-yloxyethanone
CID 114669264
1-[4-bromo-1-(2-methoxyethyl)pyrazol-5-yl]-3-piperidin-2-ylpropan-1-one
CID 114668909
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
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methyl-2-piperidin-1-ylpropan-1-one
CID 114641095
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-(3-propylpiperidin-3-yl)methanone
CID 114669197
1-[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-2-methoxy-2-methylpropan-1-one
CID 114641356

Frequently Asked Questions

What is the IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone?
The IUPAC name of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone (CID 114668048) is [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone.
What is the SMILES notation for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone?
The canonical SMILES for [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone is COCCn1ncc(Cl)c1C(=O)C1CCCCN1.
What is the InChIKey of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone?
The InChIKey is DZFMZHHNYWUPSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18ClN3O2/c1-18-7-6-16-11(9(13)8-15-16)12(17)10-4-2-3-5-14-10/h8,10,14H,2-7H2,1H3.
What are the key properties of [4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone?
[4-chloro-1-(2-methoxyethyl)pyrazol-5-yl]-piperidin-2-ylmethanone has a molecular weight of 271.75 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 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]-piperidin-2-ylmethanone is sourced from PubChem (CID 114668048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).