3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide

C14H23N3O2 — CID 91914791

IUPAC3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-9-12(2)17(16-11)6-3-14(18)15-10-13-4-7-19-8-5-13/h9,13H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyISKMRWJPRYSRAA-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.43
Rot. Bonds5

About 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide

3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide (PubChem CID 91914791) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide.

Molecular Properties

Compound Name3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide
PubChem CID91914791
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide
SMILESCc1cc(C)n(CCC(=O)NCC2CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-9-12(2)17(16-11)6-3-14(18)15-10-13-4-7-19-8-5-13/h9,13H,3-8,10H2,1-2H3,(H,15,18)
InChIKeyISKMRWJPRYSRAA-UHFFFAOYSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide?
The IUPAC name of 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide (CID 91914791) is 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide.
What is the SMILES notation for 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide?
The canonical SMILES for 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide is Cc1cc(C)n(CCC(=O)NCC2CCOCC2)n1.
What is the InChIKey of 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide?
The InChIKey is ISKMRWJPRYSRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-9-12(2)17(16-11)6-3-14(18)15-10-13-4-7-19-8-5-13/h9,13H,3-8,10H2,1-2H3,(H,15,18).
What are the key properties of 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide?
3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide has a molecular weight of 265.36 g/mol, XLogP of 1.43, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethylpyrazol-1-yl)-N-(oxan-4-ylmethyl)propanamide is sourced from PubChem (CID 91914791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).