ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate

C20H23N3O3 — CID 23723662

IUPACethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H23N3O3/c1-4-26-19(24)13-23(2)12-17-11-21-22-20(17)16-6-5-15-10-18(25-3)8-7-14(15)9-16/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyMLFHQKYPXYTVTA-UHFFFAOYSA-N
MW353.42 g/mol
LogP3.23
Rot. Bonds7

About ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate

ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate (PubChem CID 23723662) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate.

Molecular Properties

Compound Nameethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate
PubChem CID23723662
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC Nameethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate
SMILESCCOC(=O)CN(C)Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1
InChIInChI=1S/C20H23N3O3/c1-4-26-19(24)13-23(2)12-17-11-21-22-20(17)16-6-5-15-10-18(25-3)8-7-14(15)9-16/h5-11H,4,12-13H2,1-3H3,(H,21,22)
InChIKeyMLFHQKYPXYTVTA-UHFFFAOYSA-N
XLogP3.23
TPSA67.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate?
The IUPAC name of ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate (CID 23723662) is ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate.
What is the SMILES notation for ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate?
The canonical SMILES for ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate is CCOC(=O)CN(C)Cc1cn[nH]c1-c1ccc2cc(OC)ccc2c1.
What is the InChIKey of ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate?
The InChIKey is MLFHQKYPXYTVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-4-26-19(24)13-23(2)12-17-11-21-22-20(17)16-6-5-15-10-18(25-3)8-7-14(15)9-16/h5-11H,4,12-13H2,1-3H3,(H,21,22).
What are the key properties of ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate?
ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate has a molecular weight of 353.42 g/mol, XLogP of 3.23, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[[5-(6-methoxynaphthalen-2-yl)-1H-pyrazol-4-yl]methyl-methylamino]acetate is sourced from PubChem (CID 23723662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).