ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate

C17H21N3O3 — CID 155422688

IUPACethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nnc1OC1CCC(c2ccc(C)cc2)C1
InChIInChI=1S/C17H21N3O3/c1-3-22-17(21)15-16(19-20-18-15)23-14-9-8-13(10-14)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyJPOAQUSOWXWPOX-UHFFFAOYSA-N
MW315.37 g/mol
LogP3.00
Rot. Bonds5

About ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate

ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate (PubChem CID 155422688) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate
PubChem CID155422688
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Nameethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate
SMILESCCOC(=O)c1[nH]nnc1OC1CCC(c2ccc(C)cc2)C1
InChIInChI=1S/C17H21N3O3/c1-3-22-17(21)15-16(19-20-18-15)23-14-9-8-13(10-14)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,19,20)
InChIKeyJPOAQUSOWXWPOX-UHFFFAOYSA-N
XLogP3.00
TPSA77.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

ethyl 4-[4-(3,5-dichlorophenyl)cyclohexyl]oxy-1H-triazole-5-carboxylate
CID 155422828
ethyl 4-[4-[4-[2-(2-ethyl-2-hydroxypentyl)pyrazol-3-yl]phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylate
CID 142617952
diethylcarbamoyloxymethyl 4-[4-[4-(trifluoromethoxy)phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylate
CID 142617695
methyl 4-[4-[4-[2-(2-ethyl-2-hydroxypentyl)pyrazol-3-yl]phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylate
CID 155422730
4-[4-(4-pyrrolidin-1-ylphenyl)cyclohexyl]oxy-1H-triazole-5-carboxylic acid
CID 147555845
ethyl 4-(3-methoxy-2-propylphenoxy)-1H-triazole-5-carboxylate
CID 170994018
ethyl 1-[(4-methoxyphenyl)methyl]-5-[4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexyl]oxytriazole-4-carboxylate;1-[(4-methoxyphenyl)methyl]-5-[4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexyl]oxytriazole-4-carboxylic acid;4-[4-[4-(1,3,4-oxadiazol-2-yl)phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylic acid
CID 160623008
4-[4-[4-(4-methylpiperazin-1-yl)phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155250694
4-[4-[4-[3-(dimethylamino)propoxy]phenyl]cyclohexyl]oxy-1H-triazole-5-carboxylic acid;2,2,2-trifluoroacetic acid
CID 155250375
ethyl 4-[3-chloro-5-(cyclopropylmethoxy)phenoxy]-1H-triazole-5-carboxylate
CID 149212324
ethyl 3-(4-cyclohexylphenyl)-1H-pyrazole-5-carboxylate
CID 75357944
propanoyloxymethyl 4-[(6,7-dichloro-1,2,3,4-tetrahydronaphthalen-2-yl)oxy]-1H-triazole-5-carboxylate
CID 142618809

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate (CID 155422688) is ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate is CCOC(=O)c1[nH]nnc1OC1CCC(c2ccc(C)cc2)C1.
What is the InChIKey of ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate?
The InChIKey is JPOAQUSOWXWPOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-3-22-17(21)15-16(19-20-18-15)23-14-9-8-13(10-14)12-6-4-11(2)5-7-12/h4-7,13-14H,3,8-10H2,1-2H3,(H,18,19,20).
What are the key properties of ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate?
ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate has a molecular weight of 315.37 g/mol, XLogP of 3.00, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methylphenyl)cyclopentyl]oxy-1H-triazole-5-carboxylate is sourced from PubChem (CID 155422688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).