[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

C21H27N3O3 — CID 155009536

IUPAC[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESC=Cc1cc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-15-12-16(10-11-20(15)26-4)18-13-22-24(3)19(18)14-27-21(25)23(2)17-8-6-7-9-17/h5,10-13,17H,1,6-9,14H2,2-4H3
InChIKeyUFVVGEGXGHOWGL-UHFFFAOYSA-N
MW369.47 g/mol
LogP4.25
Rot. Bonds6

About [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate

[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (PubChem CID 155009536) has the molecular formula C21H27N3O3 and a molecular weight of 369.47 g/mol. Its IUPAC name is [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.

Molecular Properties

Compound Name[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
PubChem CID155009536
Molecular FormulaC21H27N3O3
Molecular Weight369.47 g/mol
Exact Mass369.21
IUPAC Name[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate
SMILESC=Cc1cc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1OC
InChIInChI=1S/C21H27N3O3/c1-5-15-12-16(10-11-20(15)26-4)18-13-22-24(3)19(18)14-27-21(25)23(2)17-8-6-7-9-17/h5,10-13,17H,1,6-9,14H2,2-4H3
InChIKeyUFVVGEGXGHOWGL-UHFFFAOYSA-N
XLogP4.25
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The IUPAC name of [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate (CID 155009536) is [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate.
What is the SMILES notation for [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The canonical SMILES for [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is C=Cc1cc(-c2cnn(C)c2COC(=O)N(C)C2CCCC2)ccc1OC.
What is the InChIKey of [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
The InChIKey is UFVVGEGXGHOWGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O3/c1-5-15-12-16(10-11-20(15)26-4)18-13-22-24(3)19(18)14-27-21(25)23(2)17-8-6-7-9-17/h5,10-13,17H,1,6-9,14H2,2-4H3.
What are the key properties of [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate?
[4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate has a molecular weight of 369.47 g/mol, XLogP of 4.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-ethenyl-4-methoxyphenyl)-1-methylpyrazol-5-yl]methyl N-cyclopentyl-N-methylcarbamate is sourced from PubChem (CID 155009536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).