[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate

C17H20N2O2 — CID 56528817

IUPAC[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-13-7-9-14(10-8-13)17(20)21-16-6-3-5-15(16)19-12-4-11-18-19/h4,7-12,15-16H,2-3,5-6H2,1H3/t15-,16-/m1/s1
InChIKeyVCJLKOBVDRUUGX-HZPDHXFCSA-N
MW284.36 g/mol
LogP3.40
Rot. Bonds4

About [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate (PubChem CID 56528817) has the molecular formula C17H20N2O2 and a molecular weight of 284.36 g/mol. Its IUPAC name is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate.

Molecular Properties

Compound Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate
PubChem CID56528817
Molecular FormulaC17H20N2O2
Molecular Weight284.36 g/mol
Exact Mass284.15
IUPAC Name[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate
SMILESCCc1ccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cc1
InChIInChI=1S/C17H20N2O2/c1-2-13-7-9-14(10-8-13)17(20)21-16-6-3-5-15(16)19-12-4-11-18-19/h4,7-12,15-16H,2-3,5-6H2,1H3/t15-,16-/m1/s1
InChIKeyVCJLKOBVDRUUGX-HZPDHXFCSA-N
XLogP3.40
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 3-methylimidazo[4,5-b]pyridine-6-carboxylate
CID 91662303
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] (Z)-3-(4-fluorophenyl)but-2-enoate
CID 56528820
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-pyridin-4-ylpyrazole-4-carboxylate
CID 75393505
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 2-[(1R)-1-methoxyethyl]-4-methyl-1,3-thiazole-5-carboxylate
CID 96543865
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 5-methyl-1-[5-(trifluoromethyl)-2-pyridinyl]pyrazole-4-carboxylate
CID 56528891
methyl 4-[[4-(pyrazol-1-ylmethyl)piperidin-1-yl]methyl]benzoate
CID 90495331
(2-ethylcyclohexyl) 4-(methylsulfonylmethyl)benzoate
CID 86975743
(2,5-dioxopyrrolidin-1-yl) 4-ethylbenzoate;ethane
CID 172600342
cyclopentyl 4-ethylbenzenecarboperoxoate
CID 173266151
(2-ethylcyclohexyl) 4-methylbenzoate
CID 577069
methyl 4-[[3-[ethyl(pyridin-4-ylmethyl)amino]piperidin-1-yl]methyl]benzoate
CID 45199818
[(2R,4aS)-2-methyl-1-propyl-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-5-yl] benzoate;hydrochloride
CID 24845887

Frequently Asked Questions

What is the IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate?
The IUPAC name of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate (CID 56528817) is [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate.
What is the SMILES notation for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate?
The canonical SMILES for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate is CCc1ccc(C(=O)O[C@@H]2CCC[C@H]2n2cccn2)cc1.
What is the InChIKey of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate?
The InChIKey is VCJLKOBVDRUUGX-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H20N2O2/c1-2-13-7-9-14(10-8-13)17(20)21-16-6-3-5-15(16)19-12-4-11-18-19/h4,7-12,15-16H,2-3,5-6H2,1H3/t15-,16-/m1/s1.
What are the key properties of [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate?
[(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate has a molecular weight of 284.36 g/mol, XLogP of 3.40, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2R)-2-pyrazol-1-ylcyclopentyl] 4-ethylbenzoate is sourced from PubChem (CID 56528817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).