4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine

C11H21N3O2 — CID 114653379

IUPAC4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1c(OC)cnn1C
InChIInChI=1S/C11H21N3O2/c1-12-9(6-5-7-15-3)11-10(16-4)8-13-14(11)2/h8-9,12H,5-7H2,1-4H3
InChIKeyGADHCVAFDYEGBZ-UHFFFAOYSA-N
MW227.31 g/mol
LogP1.12
Rot. Bonds7

About 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine

4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine (PubChem CID 114653379) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine.

Molecular Properties

Compound Name4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
PubChem CID114653379
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine
SMILESCNC(CCCOC)c1c(OC)cnn1C
InChIInChI=1S/C11H21N3O2/c1-12-9(6-5-7-15-3)11-10(16-4)8-13-14(11)2/h8-9,12H,5-7H2,1-4H3
InChIKeyGADHCVAFDYEGBZ-UHFFFAOYSA-N
XLogP1.12
TPSA48.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 51.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpentan-1-amine
CID 114657456
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylnonan-1-amine
CID 105046852
3-(2,2-difluoroethoxy)-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylpropan-1-amine
CID 103149365
1-(1-ethyl-4-methoxypyrazol-5-yl)-3-methoxy-N-methylpropan-1-amine
CID 114648521
1-(4-methoxy-1-methylpyrazol-5-yl)-N-methyl-3-phenylpropan-1-amine
CID 114648431
N-ethyl-1-(4-methoxy-1-methylpyrazol-5-yl)hexan-1-amine
CID 105046940
3-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)propan-1-ol
CID 114643133
1-(4-methoxy-1-methylpyrazol-5-yl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 114648396
1-(4-methoxy-1-methylpyrazol-5-yl)-N-propyloctan-1-amine
CID 105047055
1-(4-bromo-1-ethylpyrazol-5-yl)-4-methoxy-N-methylbutan-1-amine
CID 114653359
1-(1-ethyl-4-methoxypyrazol-5-yl)-N-methyldecan-1-amine
CID 105047878
2-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)ethanol
CID 114643178

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
The IUPAC name of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine (CID 114653379) is 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine.
What is the SMILES notation for 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
The canonical SMILES for 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine is CNC(CCCOC)c1c(OC)cnn1C.
What is the InChIKey of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
The InChIKey is GADHCVAFDYEGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-12-9(6-5-7-15-3)11-10(16-4)8-13-14(11)2/h8-9,12H,5-7H2,1-4H3.
What are the key properties of 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine?
4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine has a molecular weight of 227.31 g/mol, XLogP of 1.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(4-methoxy-1-methylpyrazol-5-yl)-N-methylbutan-1-amine is sourced from PubChem (CID 114653379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).