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

C15H25N3O2 — CID 71686933

IUPAC2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(C)CC2(C)CCOCC2)n1
InChIInChI=1S/C15H25N3O2/c1-12-9-13(2)18(16-12)10-14(19)17(4)11-15(3)5-7-20-8-6-15/h9H,5-8,10-11H2,1-4H3
InChIKeyHXJNUWXWVPFYJX-UHFFFAOYSA-N
MW279.38 g/mol
LogP1.78
Rot. Bonds4

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

2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide (PubChem CID 71686933) has the molecular formula C15H25N3O2 and a molecular weight of 279.38 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide
PubChem CID71686933
Molecular FormulaC15H25N3O2
Molecular Weight279.38 g/mol
Exact Mass279.19
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide
SMILESCc1cc(C)n(CC(=O)N(C)CC2(C)CCOCC2)n1
InChIInChI=1S/C15H25N3O2/c1-12-9-13(2)18(16-12)10-14(19)17(4)11-15(3)5-7-20-8-6-15/h9H,5-8,10-11H2,1-4H3
InChIKeyHXJNUWXWVPFYJX-UHFFFAOYSA-N
XLogP1.78
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide (CID 71686933) is 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide is Cc1cc(C)n(CC(=O)N(C)CC2(C)CCOCC2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide?
The InChIKey is HXJNUWXWVPFYJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O2/c1-12-9-13(2)18(16-12)10-14(19)17(4)11-15(3)5-7-20-8-6-15/h9H,5-8,10-11H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide?
2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide has a molecular weight of 279.38 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-N-methyl-N-[(4-methyloxan-4-yl)methyl]acetamide is sourced from PubChem (CID 71686933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).