ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate

C18H22N2O4 — CID 67586843

IUPACethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)c(OC3CCCC3)c2)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-18(21)13-11-19-20(12-13)14-8-9-16(22-2)17(10-14)24-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyATAIHSPULLPLTG-UHFFFAOYSA-N
MW330.38 g/mol
LogP3.38
Rot. Bonds6

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

ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate (PubChem CID 67586843) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
PubChem CID67586843
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Nameethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(OC)c(OC3CCCC3)c2)c1
InChIInChI=1S/C18H22N2O4/c1-3-23-18(21)13-11-19-20(12-13)14-8-9-16(22-2)17(10-14)24-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3
InChIKeyATAIHSPULLPLTG-UHFFFAOYSA-N
XLogP3.38
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 7-(3-cyclopentyloxy-4-methoxyphenyl)pyrazolo[1,5-a]pyrimidine-2-carboxylate
CID 24775846
ethyl 4-[1-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylethenyl]benzoate
CID 139988631
cyclohexyl 1-(4-methoxyphenyl)pyrazole-4-carboxylate
CID 135064706
ethyl 3-[2-(3-cyclopentyloxy-4-methoxyphenyl)-1,3-thiazol-4-yl]benzoate
CID 21360937
ethyl (Z)-2-bromo-3-(3-cyclopentyloxy-4-methoxyphenyl)prop-2-enoate
CID 11462803
2-amino-1-(3-cyclopentyloxy-4-methoxyphenyl)ethanone
CID 117376031
ethyl 2-(3-cyclopentyloxy-4-methoxyphenyl)-3-oxo-1H-isoindole-1-carboxylate
CID 57138770
ethyl 3,5-dichloro-4-[(4-cyclopentyloxy-5-methoxypyridine-2-carbonyl)amino]benzoate
CID 22145804
ethyl 4-(3-cyclopentyloxy-4-methoxyphenyl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
CID 142652683
ethyl 4-amino-3-cyclohexyloxybenzoate
CID 82796678
ethyl 1-(6-cyano-3-pyridinyl)pyrazole-4-carboxylate
CID 113320668
ethyl 3-(3-cyclopentyloxy-4-methoxyphenyl)-2-pyridin-4-ylprop-2-enoate
CID 54463254

Frequently Asked Questions

What is the IUPAC name of ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate?
The IUPAC name of ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate (CID 67586843) is ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate?
The canonical SMILES for ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(OC)c(OC3CCCC3)c2)c1.
What is the InChIKey of ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate?
The InChIKey is ATAIHSPULLPLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-23-18(21)13-11-19-20(12-13)14-8-9-16(22-2)17(10-14)24-15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3.
What are the key properties of ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate?
ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate has a molecular weight of 330.38 g/mol, XLogP of 3.38, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-(3-cyclopentyloxy-4-methoxyphenyl)pyrazole-4-carboxylate is sourced from PubChem (CID 67586843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).