ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate

C18H27N3O2 — CID 166903452

IUPACethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate
SMILESCCOC(=O)C(c1n[nH]c(C2CCCC2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)15(14(11-7-8-11)12-9-10-12)17-19-16(20-21-17)13-5-3-4-6-13/h11-15H,2-10H2,1H3,(H,19,20,21)
InChIKeyKBLUWEKHOMATRQ-UHFFFAOYSA-N
MW317.43 g/mol
LogP3.55
Rot. Bonds7

About ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate

ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate (PubChem CID 166903452) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate.

Molecular Properties

Compound Nameethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate
PubChem CID166903452
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Nameethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate
SMILESCCOC(=O)C(c1n[nH]c(C2CCCC2)n1)C(C1CC1)C1CC1
InChIInChI=1S/C18H27N3O2/c1-2-23-18(22)15(14(11-7-8-11)12-9-10-12)17-19-16(20-21-17)13-5-3-4-6-13/h11-15H,2-10H2,1H3,(H,19,20,21)
InChIKeyKBLUWEKHOMATRQ-UHFFFAOYSA-N
XLogP3.55
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate?
The IUPAC name of ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate (CID 166903452) is ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate.
What is the SMILES notation for ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate?
The canonical SMILES for ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate is CCOC(=O)C(c1n[nH]c(C2CCCC2)n1)C(C1CC1)C1CC1.
What is the InChIKey of ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate?
The InChIKey is KBLUWEKHOMATRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-2-23-18(22)15(14(11-7-8-11)12-9-10-12)17-19-16(20-21-17)13-5-3-4-6-13/h11-15H,2-10H2,1H3,(H,19,20,21).
What are the key properties of ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate?
ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate has a molecular weight of 317.43 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-cyclopentyl-1H-1,2,4-triazol-3-yl)-3,3-dicyclopropylpropanoate is sourced from PubChem (CID 166903452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).