[(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate

C11H16N2O2 — CID 97304354

IUPAC[(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate
SMILESCC[C@@H]1CC[C@H](OC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H16N2O2/c1-2-8-3-4-10(5-8)15-11(14)9-6-12-13-7-9/h6-8,10H,2-5H2,1H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyGFWVVYJXMFPAHH-SCZZXKLOSA-N
MW208.26 g/mol
LogP2.15
Rot. Bonds3

About [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate

[(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate (PubChem CID 97304354) has the molecular formula C11H16N2O2 and a molecular weight of 208.26 g/mol. Its IUPAC name is [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate.

Molecular Properties

Compound Name[(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate
PubChem CID97304354
Molecular FormulaC11H16N2O2
Molecular Weight208.26 g/mol
Exact Mass208.12
IUPAC Name[(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate
SMILESCC[C@@H]1CC[C@H](OC(=O)c2cn[nH]c2)C1
InChIInChI=1S/C11H16N2O2/c1-2-8-3-4-10(5-8)15-11(14)9-6-12-13-7-9/h6-8,10H,2-5H2,1H3,(H,12,13)/t8-,10+/m1/s1
InChIKeyGFWVVYJXMFPAHH-SCZZXKLOSA-N
XLogP2.15
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate?
The IUPAC name of [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate (CID 97304354) is [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate.
What is the SMILES notation for [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate?
The canonical SMILES for [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate is CC[C@@H]1CC[C@H](OC(=O)c2cn[nH]c2)C1.
What is the InChIKey of [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate?
The InChIKey is GFWVVYJXMFPAHH-SCZZXKLOSA-N. The full InChI is InChI=1S/C11H16N2O2/c1-2-8-3-4-10(5-8)15-11(14)9-6-12-13-7-9/h6-8,10H,2-5H2,1H3,(H,12,13)/t8-,10+/m1/s1.
What are the key properties of [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate?
[(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate has a molecular weight of 208.26 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S,3R)-3-ethylcyclopentyl] 1H-pyrazole-4-carboxylate is sourced from PubChem (CID 97304354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).