N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide

C12H21N3O2 — CID 86788155

IUPACN-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide
SMILESCC(C)OCCCC(=O)N(C)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-10(2)17-9-5-6-12(16)14(3)11-7-8-13-15(11)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeySPSXGWQCDHUPHW-UHFFFAOYSA-N
MW239.32 g/mol
LogP1.59
Rot. Bonds6

About N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide

N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide (PubChem CID 86788155) has the molecular formula C12H21N3O2 and a molecular weight of 239.32 g/mol. Its IUPAC name is N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide.

Molecular Properties

Compound NameN-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide
PubChem CID86788155
Molecular FormulaC12H21N3O2
Molecular Weight239.32 g/mol
Exact Mass239.16
IUPAC NameN-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide
SMILESCC(C)OCCCC(=O)N(C)c1ccnn1C
InChIInChI=1S/C12H21N3O2/c1-10(2)17-9-5-6-12(16)14(3)11-7-8-13-15(11)4/h7-8,10H,5-6,9H2,1-4H3
InChIKeySPSXGWQCDHUPHW-UHFFFAOYSA-N
XLogP1.59
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 51.59
H-Bond Donors ≤ 50
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-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide?
The IUPAC name of N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide (CID 86788155) is N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide.
What is the SMILES notation for N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide?
The canonical SMILES for N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide is CC(C)OCCCC(=O)N(C)c1ccnn1C.
What is the InChIKey of N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide?
The InChIKey is SPSXGWQCDHUPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O2/c1-10(2)17-9-5-6-12(16)14(3)11-7-8-13-15(11)4/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide?
N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide has a molecular weight of 239.32 g/mol, XLogP of 1.59, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(2-methylpyrazol-3-yl)-4-propan-2-yloxybutanamide is sourced from PubChem (CID 86788155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).