2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide

C13H21N3O2 — CID 164636078

IUPAC2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide
SMILESCCCC(C)C(=O)N[C@H]1CCO[C@@H]1c1ccn[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-4-9(2)13(17)15-10-6-8-18-12(10)11-5-7-14-16-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,14,16)(H,15,17)/t9?,10-,12-/m0/s1
InChIKeyMHQVWBJPAXZEDZ-CIZBPJNJSA-N
MW251.33 g/mol
LogP1.79
Rot. Bonds5

About 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide

2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide (PubChem CID 164636078) has the molecular formula C13H21N3O2 and a molecular weight of 251.33 g/mol. Its IUPAC name is 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide.

Molecular Properties

Compound Name2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide
PubChem CID164636078
Molecular FormulaC13H21N3O2
Molecular Weight251.33 g/mol
Exact Mass251.16
IUPAC Name2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide
SMILESCCCC(C)C(=O)N[C@H]1CCO[C@@H]1c1ccn[nH]1
InChIInChI=1S/C13H21N3O2/c1-3-4-9(2)13(17)15-10-6-8-18-12(10)11-5-7-14-16-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,14,16)(H,15,17)/t9?,10-,12-/m0/s1
InChIKeyMHQVWBJPAXZEDZ-CIZBPJNJSA-N
XLogP1.79
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.33
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide?
The IUPAC name of 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide (CID 164636078) is 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide.
What is the SMILES notation for 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide?
The canonical SMILES for 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide is CCCC(C)C(=O)N[C@H]1CCO[C@@H]1c1ccn[nH]1.
What is the InChIKey of 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide?
The InChIKey is MHQVWBJPAXZEDZ-CIZBPJNJSA-N. The full InChI is InChI=1S/C13H21N3O2/c1-3-4-9(2)13(17)15-10-6-8-18-12(10)11-5-7-14-16-11/h5,7,9-10,12H,3-4,6,8H2,1-2H3,(H,14,16)(H,15,17)/t9?,10-,12-/m0/s1.
What are the key properties of 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide?
2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide has a molecular weight of 251.33 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(2S,3S)-2-(1H-pyrazol-5-yl)oxolan-3-yl]pentanamide is sourced from PubChem (CID 164636078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).