N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

C12H21N3O2 — CID 30747573

IUPACN-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOCCCNC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-9-11(10(2)15(3)14-9)8-12(16)13-6-5-7-17-4/h5-8H2,1-4H3,(H,13,16)
InChIKeyUHGROMZEDQQVCH-UHFFFAOYSA-N
MW239.32 g/mol
LogP0.73
Rot. Bonds6

About N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide

N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (PubChem CID 30747573) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
PubChem CID30747573
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide
SMILESCOCCCNC(=O)Cc1c(C)nn(C)c1C
InChIInChI=1S/C12H21N3O2/c1-9-11(10(2)15(3)14-9)8-12(16)13-6-5-7-17-4/h5-8H2,1-4H3,(H,13,16)
InChIKeyUHGROMZEDQQVCH-UHFFFAOYSA-N
XLogP0.73
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The IUPAC name of N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide (CID 30747573) is N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The canonical SMILES for N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is COCCCNC(=O)Cc1c(C)nn(C)c1C.
What is the InChIKey of N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
The InChIKey is UHGROMZEDQQVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-9-11(10(2)15(3)14-9)8-12(16)13-6-5-7-17-4/h5-8H2,1-4H3,(H,13,16).
What are the key properties of N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide?
N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide has a molecular weight of 239.32 g/mol, XLogP of 0.73, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methoxypropyl)-2-(1,3,5-trimethylpyrazol-4-yl)acetamide is sourced from PubChem (CID 30747573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).