1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine

C16H20ClN3O — CID 117233203

IUPAC1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine
SMILESClc1c(Oc2ccccc2)cnn1CCN1CCCCC1
InChIInChI=1S/C16H20ClN3O/c17-16-15(21-14-7-3-1-4-8-14)13-18-20(16)12-11-19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-12H2
InChIKeyVFZLIQNXIUSZJN-UHFFFAOYSA-N
MW305.81 g/mol
LogP3.81
Rot. Bonds5

About 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine

1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine (PubChem CID 117233203) has the molecular formula C16H20ClN3O and a molecular weight of 305.81 g/mol. Its IUPAC name is 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine.

Molecular Properties

Compound Name1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine
PubChem CID117233203
Molecular FormulaC16H20ClN3O
Molecular Weight305.81 g/mol
Exact Mass305.13
IUPAC Name1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine
SMILESClc1c(Oc2ccccc2)cnn1CCN1CCCCC1
InChIInChI=1S/C16H20ClN3O/c17-16-15(21-14-7-3-1-4-8-14)13-18-20(16)12-11-19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-12H2
InChIKeyVFZLIQNXIUSZJN-UHFFFAOYSA-N
XLogP3.81
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.81
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-phenoxy-1-(pyrrolidin-2-ylmethyl)pyrazole
CID 117232233
5-chloro-4-phenoxy-1-(pyrrolidin-3-ylmethyl)pyrazole
CID 117231908
4-[2-(5-chloro-4-methoxypyrazol-1-yl)ethyl]morpholine
CID 117233214
1-benzyl-4-phenoxypyrazole-5-carboxylic acid
CID 117232582
1-[2-(5-chloro-4-cyclopentyloxypyrazol-1-yl)ethyl]-4-methylpiperazine
CID 117233181
5-chloro-4-phenoxy-1-(thiolan-2-yl)pyrazole
CID 117232098
2-(5-chloro-4-phenoxypyrazol-1-yl)phenol
CID 117232967
2-(3-phenoxyphenyl)-N-[1-(2-pyrrolidin-1-ylethyl)indazol-5-yl]acetamide
CID 11517811
1-(4-phenoxyphenyl)-3-piperidin-1-ylpropan-1-one
CID 82051060
2-benzyl-5-phenoxy-4-[3-(piperidine-1-carbonyl)anilino]pyridazin-3-one
CID 46149320
1-[(4-phenoxyphenyl)methyl]-3-[1-(2-pyrrolidin-1-ylethyl)indazol-6-yl]urea
CID 11396908
3-bromo-1-(2-piperidin-1-ylethyl)indazole
CID 23324109

Frequently Asked Questions

What is the IUPAC name of 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine?
The IUPAC name of 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine (CID 117233203) is 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine.
What is the SMILES notation for 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine?
The canonical SMILES for 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine is Clc1c(Oc2ccccc2)cnn1CCN1CCCCC1.
What is the InChIKey of 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine?
The InChIKey is VFZLIQNXIUSZJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O/c17-16-15(21-14-7-3-1-4-8-14)13-18-20(16)12-11-19-9-5-2-6-10-19/h1,3-4,7-8,13H,2,5-6,9-12H2.
What are the key properties of 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine?
1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine has a molecular weight of 305.81 g/mol, XLogP of 3.81, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(5-chloro-4-phenoxypyrazol-1-yl)ethyl]piperidine is sourced from PubChem (CID 117233203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).