N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide

C11H19N3O2 — CID 146284482

IUPACN-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide
SMILESCOc1cc(NC(=O)CC(C)(C)C)n(C)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)7-9(15)12-8-6-10(16-5)13-14(8)4/h6H,7H2,1-5H3,(H,12,15)
InChIKeyFWIVYVOFKCDDHS-UHFFFAOYSA-N
MW225.29 g/mol
LogP1.80
Rot. Bonds3

About N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide

N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide (PubChem CID 146284482) has the molecular formula C11H19N3O2 and a molecular weight of 225.29 g/mol. Its IUPAC name is N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide
PubChem CID146284482
Molecular FormulaC11H19N3O2
Molecular Weight225.29 g/mol
Exact Mass225.15
IUPAC NameN-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide
SMILESCOc1cc(NC(=O)CC(C)(C)C)n(C)n1
InChIInChI=1S/C11H19N3O2/c1-11(2,3)7-9(15)12-8-6-10(16-5)13-14(8)4/h6H,7H2,1-5H3,(H,12,15)
InChIKeyFWIVYVOFKCDDHS-UHFFFAOYSA-N
XLogP1.80
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.29
LogP ≤ 51.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide?
The IUPAC name of N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide (CID 146284482) is N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide.
What is the SMILES notation for N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide?
The canonical SMILES for N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide is COc1cc(NC(=O)CC(C)(C)C)n(C)n1.
What is the InChIKey of N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide?
The InChIKey is FWIVYVOFKCDDHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O2/c1-11(2,3)7-9(15)12-8-6-10(16-5)13-14(8)4/h6H,7H2,1-5H3,(H,12,15).
What are the key properties of N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide?
N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide has a molecular weight of 225.29 g/mol, XLogP of 1.80, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxy-1-methylpyrazol-5-yl)-3,3-dimethylbutanamide is sourced from PubChem (CID 146284482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).