ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate

C20H26N2O4 — CID 70088740

IUPACethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
SMILESCCOC(=O)n1ccc(CCc2ccc(OC)c(OC3CCCC3)c2)n1
InChIInChI=1S/C20H26N2O4/c1-3-25-20(23)22-13-12-16(21-22)10-8-15-9-11-18(24-2)19(14-15)26-17-6-4-5-7-17/h9,11-14,17H,3-8,10H2,1-2H3
InChIKeyVEJWIAHLCVKWDA-UHFFFAOYSA-N
MW358.44 g/mol
LogP4.00
Rot. Bonds7

About ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate

ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate (PubChem CID 70088740) has the molecular formula C20H26N2O4 and a molecular weight of 358.44 g/mol. Its IUPAC name is ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
PubChem CID70088740
Molecular FormulaC20H26N2O4
Molecular Weight358.44 g/mol
Exact Mass358.19
IUPAC Nameethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate
SMILESCCOC(=O)n1ccc(CCc2ccc(OC)c(OC3CCCC3)c2)n1
InChIInChI=1S/C20H26N2O4/c1-3-25-20(23)22-13-12-16(21-22)10-8-15-9-11-18(24-2)19(14-15)26-17-6-4-5-7-17/h9,11-14,17H,3-8,10H2,1-2H3
InChIKeyVEJWIAHLCVKWDA-UHFFFAOYSA-N
XLogP4.00
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-cyclobutyloxy-4-methoxyphenyl)ethanol
CID 117318425
methyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]benzoate
CID 23222832
2-(3-cyclopropyloxy-4-methoxyphenyl)ethanol
CID 117297599
(3-cyclopentyloxy-4-methoxyphenyl)methyl cyclohexanecarboxylate
CID 174456641
2-(3-cyclopentyloxy-4-methoxyphenyl)acetonitrile;hydrochloride
CID 172691211
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
3-(3-cyclopentyloxy-4-methoxyphenyl)-N,N-dimethylpropan-1-amine
CID 170865862
(3-cyclopentyloxy-4-methoxyphenyl)methylhydrazine
CID 143235659
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
CID 67586843
ethyl 1-[N-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-N'-methylcarbamimidoyl]piperidine-4-carboxylate
CID 111156455
tert-butyl N-[2-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethylamino]-2-oxoethyl]carbamate
CID 19707495
3-[(3-cyclopentyloxy-4-methoxyphenyl)methyl]-1,2-oxazol-5-amine
CID 67811905

Frequently Asked Questions

What is the IUPAC name of ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
The IUPAC name of ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate (CID 70088740) is ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate.
What is the SMILES notation for ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
The canonical SMILES for ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate is CCOC(=O)n1ccc(CCc2ccc(OC)c(OC3CCCC3)c2)n1.
What is the InChIKey of ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
The InChIKey is VEJWIAHLCVKWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4/c1-3-25-20(23)22-13-12-16(21-22)10-8-15-9-11-18(24-2)19(14-15)26-17-6-4-5-7-17/h9,11-14,17H,3-8,10H2,1-2H3.
What are the key properties of ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate?
ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate has a molecular weight of 358.44 g/mol, XLogP of 4.00, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)ethyl]pyrazole-1-carboxylate is sourced from PubChem (CID 70088740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).