4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole

C15H18ClN3O — CID 168514051

IUPAC4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole
SMILESClc1cnn(CCOc2ccccc2N2CCCC2)c1
InChIInChI=1S/C15H18ClN3O/c16-13-11-17-19(12-13)9-10-20-15-6-2-1-5-14(15)18-7-3-4-8-18/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyWGZJCTCDWJEWOC-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.22
Rot. Bonds5

About 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole

4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole (PubChem CID 168514051) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole.

Molecular Properties

Compound Name4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole
PubChem CID168514051
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC Name4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole
SMILESClc1cnn(CCOc2ccccc2N2CCCC2)c1
InChIInChI=1S/C15H18ClN3O/c16-13-11-17-19(12-13)9-10-20-15-6-2-1-5-14(15)18-7-3-4-8-18/h1-2,5-6,11-12H,3-4,7-10H2
InChIKeyWGZJCTCDWJEWOC-UHFFFAOYSA-N
XLogP3.22
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole?
The IUPAC name of 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole (CID 168514051) is 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole.
What is the SMILES notation for 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole?
The canonical SMILES for 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole is Clc1cnn(CCOc2ccccc2N2CCCC2)c1.
What is the InChIKey of 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole?
The InChIKey is WGZJCTCDWJEWOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c16-13-11-17-19(12-13)9-10-20-15-6-2-1-5-14(15)18-7-3-4-8-18/h1-2,5-6,11-12H,3-4,7-10H2.
What are the key properties of 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole?
4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole has a molecular weight of 291.78 g/mol, XLogP of 3.22, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-1-[2-(2-pyrrolidin-1-ylphenoxy)ethyl]pyrazole is sourced from PubChem (CID 168514051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).