N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide

C16H25N3O3 — CID 128970214

IUPACN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)CC2(O)CCCC2)cn1
InChIInChI=1S/C16H25N3O3/c1-2-19-11-12(10-17-19)15-13(5-8-22-15)18-14(20)9-16(21)6-3-4-7-16/h10-11,13,15,21H,2-9H2,1H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyLXIYPVBYQDIMPO-DZGCQCFKSA-N
MW307.39 g/mol
LogP1.54
Rot. Bonds5

About N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide

N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide (PubChem CID 128970214) has the molecular formula C16H25N3O3 and a molecular weight of 307.39 g/mol. Its IUPAC name is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide.

Molecular Properties

Compound NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
PubChem CID128970214
Molecular FormulaC16H25N3O3
Molecular Weight307.39 g/mol
Exact Mass307.19
IUPAC NameN-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide
SMILESCCn1cc([C@H]2OCC[C@@H]2NC(=O)CC2(O)CCCC2)cn1
InChIInChI=1S/C16H25N3O3/c1-2-19-11-12(10-17-19)15-13(5-8-22-15)18-14(20)9-16(21)6-3-4-7-16/h10-11,13,15,21H,2-9H2,1H3,(H,18,20)/t13-,15+/m0/s1
InChIKeyLXIYPVBYQDIMPO-DZGCQCFKSA-N
XLogP1.54
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
The IUPAC name of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide (CID 128970214) is N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide.
What is the SMILES notation for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
The canonical SMILES for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide is CCn1cc([C@H]2OCC[C@@H]2NC(=O)CC2(O)CCCC2)cn1.
What is the InChIKey of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
The InChIKey is LXIYPVBYQDIMPO-DZGCQCFKSA-N. The full InChI is InChI=1S/C16H25N3O3/c1-2-19-11-12(10-17-19)15-13(5-8-22-15)18-14(20)9-16(21)6-3-4-7-16/h10-11,13,15,21H,2-9H2,1H3,(H,18,20)/t13-,15+/m0/s1.
What are the key properties of N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide?
N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide has a molecular weight of 307.39 g/mol, XLogP of 1.54, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-2-(1-ethylpyrazol-4-yl)oxolan-3-yl]-2-(1-hydroxycyclopentyl)acetamide is sourced from PubChem (CID 128970214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).