2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride

C20H24ClN3O2 — CID 3067338

IUPAC2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride
SMILESCC(C(=O)OCCN(C)C)c1ccc(-n2cc3ccccc3n2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-15(20(24)25-13-12-22(2)3)16-8-10-18(11-9-16)23-14-17-6-4-5-7-19(17)21-23;/h4-11,14-15H,12-13H2,1-3H3;1H
InChIKeyJXBGECMJTZWECN-UHFFFAOYSA-N
MW373.88 g/mol
LogP3.66
Rot. Bonds6

About 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride

2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride (PubChem CID 3067338) has the molecular formula C20H24ClN3O2 and a molecular weight of 373.88 g/mol. Its IUPAC name is 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride.

Molecular Properties

Compound Name2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride
PubChem CID3067338
Molecular FormulaC20H24ClN3O2
Molecular Weight373.88 g/mol
Exact Mass373.16
IUPAC Name2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride
SMILESCC(C(=O)OCCN(C)C)c1ccc(-n2cc3ccccc3n2)cc1.Cl
InChIInChI=1S/C20H23N3O2.ClH/c1-15(20(24)25-13-12-22(2)3)16-8-10-18(11-9-16)23-14-17-6-4-5-7-19(17)21-23;/h4-11,14-15H,12-13H2,1-3H3;1H
InChIKeyJXBGECMJTZWECN-UHFFFAOYSA-N
XLogP3.66
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.88
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride?
The IUPAC name of 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride (CID 3067338) is 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride.
What is the SMILES notation for 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride?
The canonical SMILES for 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride is CC(C(=O)OCCN(C)C)c1ccc(-n2cc3ccccc3n2)cc1.Cl.
What is the InChIKey of 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride?
The InChIKey is JXBGECMJTZWECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O2.ClH/c1-15(20(24)25-13-12-22(2)3)16-8-10-18(11-9-16)23-14-17-6-4-5-7-19(17)21-23;/h4-11,14-15H,12-13H2,1-3H3;1H.
What are the key properties of 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride?
2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride has a molecular weight of 373.88 g/mol, XLogP of 3.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)ethyl 2-(4-indazol-2-ylphenyl)propanoate;hydrochloride is sourced from PubChem (CID 3067338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).