1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide

C15H23N3O3 — CID 164634217

IUPAC1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide
SMILESCn1cc([C@]2(CNC(=O)C3(O)CCCC3)CCCO2)cn1
InChIInChI=1S/C15H23N3O3/c1-18-10-12(9-17-18)15(7-4-8-21-15)11-16-13(19)14(20)5-2-3-6-14/h9-10,20H,2-8,11H2,1H3,(H,16,19)/t15-/m1/s1
InChIKeyQJXLIBLOZQOZLY-OAHLLOKOSA-N
MW293.37 g/mol
LogP0.85
Rot. Bonds4

About 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide

1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide (PubChem CID 164634217) has the molecular formula C15H23N3O3 and a molecular weight of 293.37 g/mol. Its IUPAC name is 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide.

Molecular Properties

Compound Name1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide
PubChem CID164634217
Molecular FormulaC15H23N3O3
Molecular Weight293.37 g/mol
Exact Mass293.17
IUPAC Name1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide
SMILESCn1cc([C@]2(CNC(=O)C3(O)CCCC3)CCCO2)cn1
InChIInChI=1S/C15H23N3O3/c1-18-10-12(9-17-18)15(7-4-8-21-15)11-16-13(19)14(20)5-2-3-6-14/h9-10,20H,2-8,11H2,1H3,(H,16,19)/t15-/m1/s1
InChIKeyQJXLIBLOZQOZLY-OAHLLOKOSA-N
XLogP0.85
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 50.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide?
The IUPAC name of 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide (CID 164634217) is 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide.
What is the SMILES notation for 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide?
The canonical SMILES for 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide is Cn1cc([C@]2(CNC(=O)C3(O)CCCC3)CCCO2)cn1.
What is the InChIKey of 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide?
The InChIKey is QJXLIBLOZQOZLY-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H23N3O3/c1-18-10-12(9-17-18)15(7-4-8-21-15)11-16-13(19)14(20)5-2-3-6-14/h9-10,20H,2-8,11H2,1H3,(H,16,19)/t15-/m1/s1.
What are the key properties of 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide?
1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide has a molecular weight of 293.37 g/mol, XLogP of 0.85, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-hydroxy-N-[[(2S)-2-(1-methylpyrazol-4-yl)oxolan-2-yl]methyl]cyclopentane-1-carboxamide is sourced from PubChem (CID 164634217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).