5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride

C16H23Cl2N3O2 — CID 71298593

IUPAC5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride
SMILESCOc1ccccc1OCCc1cc(C2CCNC2)n[nH]1.Cl.Cl
InChIInChI=1S/C16H21N3O2.2ClH/c1-20-15-4-2-3-5-16(15)21-9-7-13-10-14(19-18-13)12-6-8-17-11-12;;/h2-5,10,12,17H,6-9,11H2,1H3,(H,18,19);2*1H
InChIKeyUIPSHVJMFZTLEW-UHFFFAOYSA-N
MW360.29 g/mol
LogP2.96
Rot. Bonds6

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

5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride (PubChem CID 71298593) has the molecular formula C16H23Cl2N3O2 and a molecular weight of 360.29 g/mol. Its IUPAC name is 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride.

Molecular Properties

Compound Name5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride
PubChem CID71298593
Molecular FormulaC16H23Cl2N3O2
Molecular Weight360.29 g/mol
Exact Mass359.12
IUPAC Name5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride
SMILESCOc1ccccc1OCCc1cc(C2CCNC2)n[nH]1.Cl.Cl
InChIInChI=1S/C16H21N3O2.2ClH/c1-20-15-4-2-3-5-16(15)21-9-7-13-10-14(19-18-13)12-6-8-17-11-12;;/h2-5,10,12,17H,6-9,11H2,1H3,(H,18,19);2*1H
InChIKeyUIPSHVJMFZTLEW-UHFFFAOYSA-N
XLogP2.96
TPSA59.17 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.29
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
The IUPAC name of 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride (CID 71298593) is 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride.
What is the SMILES notation for 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
The canonical SMILES for 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride is COc1ccccc1OCCc1cc(C2CCNC2)n[nH]1.Cl.Cl.
What is the InChIKey of 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
The InChIKey is UIPSHVJMFZTLEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2.2ClH/c1-20-15-4-2-3-5-16(15)21-9-7-13-10-14(19-18-13)12-6-8-17-11-12;;/h2-5,10,12,17H,6-9,11H2,1H3,(H,18,19);2*1H.
What are the key properties of 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride?
5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride has a molecular weight of 360.29 g/mol, XLogP of 2.96, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(2-methoxyphenoxy)ethyl]-3-pyrrolidin-3-yl-1H-pyrazole;dihydrochloride is sourced from PubChem (CID 71298593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).