2-(5-chloro-4-methoxypyrazol-1-yl)piperidine

C9H14ClN3O — CID 117232188

IUPAC2-(5-chloro-4-methoxypyrazol-1-yl)piperidine
SMILESCOc1cnn(C2CCCCN2)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-14-7-6-12-13(9(7)10)8-4-2-3-5-11-8/h6,8,11H,2-5H2,1H3
InChIKeyDXCLZEQMUIMODA-UHFFFAOYSA-N
MW215.68 g/mol
LogP1.82
Rot. Bonds2

About 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine

2-(5-chloro-4-methoxypyrazol-1-yl)piperidine (PubChem CID 117232188) has the molecular formula C9H14ClN3O and a molecular weight of 215.68 g/mol. Its IUPAC name is 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine.

Molecular Properties

Compound Name2-(5-chloro-4-methoxypyrazol-1-yl)piperidine
PubChem CID117232188
Molecular FormulaC9H14ClN3O
Molecular Weight215.68 g/mol
Exact Mass215.08
IUPAC Name2-(5-chloro-4-methoxypyrazol-1-yl)piperidine
SMILESCOc1cnn(C2CCCCN2)c1Cl
InChIInChI=1S/C9H14ClN3O/c1-14-7-6-12-13(9(7)10)8-4-2-3-5-11-8/h6,8,11H,2-5H2,1H3
InChIKeyDXCLZEQMUIMODA-UHFFFAOYSA-N
XLogP1.82
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.68
LogP ≤ 51.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-cyclopentyloxy-1-pyrrolidin-2-ylpyrazole
CID 117232102
2-(4-methoxy-1-methylpyrazol-5-yl)piperidine
CID 114663133
4-hydroxy-1-piperidin-2-ylpyrazole-5-carboxylic acid
CID 117232220
2-(2-chloro-3,6-dimethoxyphenyl)piperidine
CID 117392632
2-(2,3-dichloro-4-methoxyphenyl)piperidine
CID 116962306
4-(2-methoxyphenoxy)-1-pyrrolidin-2-ylpyrazole
CID 117125139
4-chloro-5-methoxy-2-(oxan-2-yl)pyridazin-3-one
CID 10610335
2-(5-chloro-2-methoxyphenyl)azepane
CID 4015818
2-chloro-4-methoxy-5-[(2R)-pyrrolidin-2-yl]pyridine
CID 131072200
6-chloro-3-methoxy-2-[(2R)-piperidin-2-yl]phenol
CID 131252293
2-(2,5-dichloro-4-methoxyphenyl)piperidine
CID 82301366
1-cyclobutyl-4-methoxypyrazole-5-carboxylic acid
CID 117233148

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine?
The IUPAC name of 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine (CID 117232188) is 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine.
What is the SMILES notation for 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine?
The canonical SMILES for 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine is COc1cnn(C2CCCCN2)c1Cl.
What is the InChIKey of 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine?
The InChIKey is DXCLZEQMUIMODA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14ClN3O/c1-14-7-6-12-13(9(7)10)8-4-2-3-5-11-8/h6,8,11H,2-5H2,1H3.
What are the key properties of 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine?
2-(5-chloro-4-methoxypyrazol-1-yl)piperidine has a molecular weight of 215.68 g/mol, XLogP of 1.82, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-4-methoxypyrazol-1-yl)piperidine is sourced from PubChem (CID 117232188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).