ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate

C23H26N2O4 — CID 19587517

IUPACethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2cccc(OC)c2)c(CC)c1-c1cccc(OC)c1
InChIInChI=1S/C23H26N2O4/c1-5-20-22(16-9-7-11-18(13-16)27-3)24-25(15-21(26)29-6-2)23(20)17-10-8-12-19(14-17)28-4/h7-14H,5-6,15H2,1-4H3
InChIKeyOLUQBGORLLASJL-UHFFFAOYSA-N
MW394.47 g/mol
LogP4.36
Rot. Bonds8

About ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate

ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate (PubChem CID 19587517) has the molecular formula C23H26N2O4 and a molecular weight of 394.47 g/mol. Its IUPAC name is ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
PubChem CID19587517
Molecular FormulaC23H26N2O4
Molecular Weight394.47 g/mol
Exact Mass394.19
IUPAC Nameethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate
SMILESCCOC(=O)Cn1nc(-c2cccc(OC)c2)c(CC)c1-c1cccc(OC)c1
InChIInChI=1S/C23H26N2O4/c1-5-20-22(16-9-7-11-18(13-16)27-3)24-25(15-21(26)29-6-2)23(20)17-10-8-12-19(14-17)28-4/h7-14H,5-6,15H2,1-4H3
InChIKeyOLUQBGORLLASJL-UHFFFAOYSA-N
XLogP4.36
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.47
LogP ≤ 54.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate?
The IUPAC name of ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate (CID 19587517) is ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate.
What is the SMILES notation for ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate?
The canonical SMILES for ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate is CCOC(=O)Cn1nc(-c2cccc(OC)c2)c(CC)c1-c1cccc(OC)c1.
What is the InChIKey of ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate?
The InChIKey is OLUQBGORLLASJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4/c1-5-20-22(16-9-7-11-18(13-16)27-3)24-25(15-21(26)29-6-2)23(20)17-10-8-12-19(14-17)28-4/h7-14H,5-6,15H2,1-4H3.
What are the key properties of ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate?
ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate has a molecular weight of 394.47 g/mol, XLogP of 4.36, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[4-ethyl-3,5-bis(3-methoxyphenyl)pyrazol-1-yl]acetate is sourced from PubChem (CID 19587517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).