ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide

C13H25N3O2 — CID 162680936

IUPACethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide
SMILESCC.CC.CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1
InChIInChI=1S/C9H13N3O2.2C2H6/c1-6(13)11-7-5-8(14)9(7)12-4-2-3-10-12;2*1-2/h2-4,7-9,14H,5H2,1H3,(H,11,13);2*1-2H3/t7-,8+,9+;;/m1../s1
InChIKeyODJRBJPTXYHTBM-IRDIGYRESA-N
MW255.36 g/mol
LogP1.75
Rot. Bonds2

About ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide

ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide (PubChem CID 162680936) has the molecular formula C13H25N3O2 and a molecular weight of 255.36 g/mol. Its IUPAC name is ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide.

Molecular Properties

Compound Nameethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide
PubChem CID162680936
Molecular FormulaC13H25N3O2
Molecular Weight255.36 g/mol
Exact Mass255.19
IUPAC Nameethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide
SMILESCC.CC.CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1
InChIInChI=1S/C9H13N3O2.2C2H6/c1-6(13)11-7-5-8(14)9(7)12-4-2-3-10-12;2*1-2/h2-4,7-9,14H,5H2,1H3,(H,11,13);2*1-2H3/t7-,8+,9+;;/m1../s1
InChIKeyODJRBJPTXYHTBM-IRDIGYRESA-N
XLogP1.75
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide?
The IUPAC name of ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide (CID 162680936) is ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide.
What is the SMILES notation for ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide?
The canonical SMILES for ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide is CC.CC.CC(=O)N[C@@H]1C[C@H](O)[C@H]1n1cccn1.
What is the InChIKey of ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide?
The InChIKey is ODJRBJPTXYHTBM-IRDIGYRESA-N. The full InChI is InChI=1S/C9H13N3O2.2C2H6/c1-6(13)11-7-5-8(14)9(7)12-4-2-3-10-12;2*1-2/h2-4,7-9,14H,5H2,1H3,(H,11,13);2*1-2H3/t7-,8+,9+;;/m1../s1.
What are the key properties of ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide?
ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide has a molecular weight of 255.36 g/mol, XLogP of 1.75, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;N-[(1R,2S,3S)-3-hydroxy-2-pyrazol-1-ylcyclobutyl]acetamide is sourced from PubChem (CID 162680936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).