5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride

C15H19Cl2N3O — CID 71298600

IUPAC5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride
SMILESCl.Clc1ccccc1OCCc1cc(C2CCNC2)n[nH]1
InChIInChI=1S/C15H18ClN3O.ClH/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11;/h1-4,9,11,17H,5-8,10H2,(H,18,19);1H
InChIKeyUMQNCDASIMDWQM-UHFFFAOYSA-N
MW328.24 g/mol
LogP3.18
Rot. Bonds5

About 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride

5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride (PubChem CID 71298600) has the molecular formula C15H19Cl2N3O and a molecular weight of 328.24 g/mol. Its IUPAC name is 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride.

Molecular Properties

Compound Name5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride
PubChem CID71298600
Molecular FormulaC15H19Cl2N3O
Molecular Weight328.24 g/mol
Exact Mass327.09
IUPAC Name5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride
SMILESCl.Clc1ccccc1OCCc1cc(C2CCNC2)n[nH]1
InChIInChI=1S/C15H18ClN3O.ClH/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11;/h1-4,9,11,17H,5-8,10H2,(H,18,19);1H
InChIKeyUMQNCDASIMDWQM-UHFFFAOYSA-N
XLogP3.18
TPSA49.94 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.24
LogP ≤ 53.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride?
The IUPAC name of 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride (CID 71298600) is 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride.
What is the SMILES notation for 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride?
The canonical SMILES for 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride is Cl.Clc1ccccc1OCCc1cc(C2CCNC2)n[nH]1.
What is the InChIKey of 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride?
The InChIKey is UMQNCDASIMDWQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O.ClH/c16-13-3-1-2-4-15(13)20-8-6-12-9-14(19-18-12)11-5-7-17-10-11;/h1-4,9,11,17H,5-8,10H2,(H,18,19);1H.
What are the key properties of 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride?
5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride has a molecular weight of 328.24 g/mol, XLogP of 3.18, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-chlorophenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;hydrochloride is sourced from PubChem (CID 71298600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).