3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide

C17H27N3O5 — CID 91764298

IUPAC3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCOC[C@H]2OCCO)c1C
InChIInChI=1S/C17H27N3O5/c1-11-17(13(3)22)12(2)20(19-11)6-4-16(23)18-14-5-8-24-10-15(14)25-9-7-21/h14-15,21H,4-10H2,1-3H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyZVIYZVDOZNQNJI-HUUCEWRRSA-N
MW353.42 g/mol
LogP0.38
Rot. Bonds8

About 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide

3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide (PubChem CID 91764298) has the molecular formula C17H27N3O5 and a molecular weight of 353.42 g/mol. Its IUPAC name is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide.

Molecular Properties

Compound Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide
PubChem CID91764298
Molecular FormulaC17H27N3O5
Molecular Weight353.42 g/mol
Exact Mass353.20
IUPAC Name3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide
SMILESCC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCOC[C@H]2OCCO)c1C
InChIInChI=1S/C17H27N3O5/c1-11-17(13(3)22)12(2)20(19-11)6-4-16(23)18-14-5-8-24-10-15(14)25-9-7-21/h14-15,21H,4-10H2,1-3H3,(H,18,23)/t14-,15-/m1/s1
InChIKeyZVIYZVDOZNQNJI-HUUCEWRRSA-N
XLogP0.38
TPSA102.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 50.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide?
The IUPAC name of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide (CID 91764298) is 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide.
What is the SMILES notation for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide?
The canonical SMILES for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide is CC(=O)c1c(C)nn(CCC(=O)N[C@@H]2CCOC[C@H]2OCCO)c1C.
What is the InChIKey of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide?
The InChIKey is ZVIYZVDOZNQNJI-HUUCEWRRSA-N. The full InChI is InChI=1S/C17H27N3O5/c1-11-17(13(3)22)12(2)20(19-11)6-4-16(23)18-14-5-8-24-10-15(14)25-9-7-21/h14-15,21H,4-10H2,1-3H3,(H,18,23)/t14-,15-/m1/s1.
What are the key properties of 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide?
3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide has a molecular weight of 353.42 g/mol, XLogP of 0.38, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-acetyl-3,5-dimethylpyrazol-1-yl)-N-[(3S,4R)-3-(2-hydroxyethoxy)oxan-4-yl]propanamide is sourced from PubChem (CID 91764298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).