(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate

C15H24N2O3 — CID 75485125

IUPAC(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
SMILESCCn1nc(C(C)C)cc1C(=O)OC1CCCC1OC
InChIInChI=1S/C15H24N2O3/c1-5-17-12(9-11(16-17)10(2)3)15(18)20-14-8-6-7-13(14)19-4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyCZCMKEVAQGNOPS-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.75
Rot. Bonds5

About (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate

(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate (PubChem CID 75485125) has the molecular formula C15H24N2O3 and a molecular weight of 280.37 g/mol. Its IUPAC name is (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate.

Molecular Properties

Compound Name(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
PubChem CID75485125
Molecular FormulaC15H24N2O3
Molecular Weight280.37 g/mol
Exact Mass280.18
IUPAC Name(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate
SMILESCCn1nc(C(C)C)cc1C(=O)OC1CCCC1OC
InChIInChI=1S/C15H24N2O3/c1-5-17-12(9-11(16-17)10(2)3)15(18)20-14-8-6-7-13(14)19-4/h9-10,13-14H,5-8H2,1-4H3
InChIKeyCZCMKEVAQGNOPS-UHFFFAOYSA-N
XLogP2.75
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
The IUPAC name of (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate (CID 75485125) is (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate.
What is the SMILES notation for (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
The canonical SMILES for (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate is CCn1nc(C(C)C)cc1C(=O)OC1CCCC1OC.
What is the InChIKey of (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
The InChIKey is CZCMKEVAQGNOPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3/c1-5-17-12(9-11(16-17)10(2)3)15(18)20-14-8-6-7-13(14)19-4/h9-10,13-14H,5-8H2,1-4H3.
What are the key properties of (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate?
(2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 2.75, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methoxycyclopentyl) 1-ethyl-3-propan-2-ylpyrazole-5-carboxylate is sourced from PubChem (CID 75485125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).