4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one

C11H18N2O2 — CID 66021509

IUPAC4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(C2CCCC2O)c1=O
InChIInChI=1S/C11H18N2O2/c1-3-8-7(2)12-13(11(8)15)9-5-4-6-10(9)14/h9-10,12,14H,3-6H2,1-2H3
InChIKeyKVTHTIXPJKDQBN-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.13
Rot. Bonds2

About 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one

4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one (PubChem CID 66021509) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one.

Molecular Properties

Compound Name4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
PubChem CID66021509
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one
SMILESCCc1c(C)[nH]n(C2CCCC2O)c1=O
InChIInChI=1S/C11H18N2O2/c1-3-8-7(2)12-13(11(8)15)9-5-4-6-10(9)14/h9-10,12,14H,3-6H2,1-2H3
InChIKeyKVTHTIXPJKDQBN-UHFFFAOYSA-N
XLogP1.13
TPSA58.02 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The IUPAC name of 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one (CID 66021509) is 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one.
What is the SMILES notation for 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The canonical SMILES for 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one is CCc1c(C)[nH]n(C2CCCC2O)c1=O.
What is the InChIKey of 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
The InChIKey is KVTHTIXPJKDQBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-8-7(2)12-13(11(8)15)9-5-4-6-10(9)14/h9-10,12,14H,3-6H2,1-2H3.
What are the key properties of 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one?
4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one has a molecular weight of 210.28 g/mol, XLogP of 1.13, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-2-(2-hydroxycyclopentyl)-5-methyl-1H-pyrazol-3-one is sourced from PubChem (CID 66021509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).