2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide

C14H23N3O2 — CID 71686919

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2(C)CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-8-12(2)17(16-11)9-13(18)15-10-14(3)4-6-19-7-5-14/h8H,4-7,9-10H2,1-3H3,(H,15,18)
InChIKeyVHTLUZHXFQEAAD-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.43
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide

2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 71686919) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID71686919
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)NCC2(C)CCOCC2)n1
InChIInChI=1S/C14H23N3O2/c1-11-8-12(2)17(16-11)9-13(18)15-10-14(3)4-6-19-7-5-14/h8H,4-7,9-10H2,1-3H3,(H,15,18)
InChIKeyVHTLUZHXFQEAAD-UHFFFAOYSA-N
XLogP1.43
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 71686919) is 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide is Cc1cc(C)n(CC(=O)NCC2(C)CCOCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is VHTLUZHXFQEAAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11-8-12(2)17(16-11)9-13(18)15-10-14(3)4-6-19-7-5-14/h8H,4-7,9-10H2,1-3H3,(H,15,18).
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 265.36 g/mol, XLogP of 1.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 71686919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).