2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine

C10H19N3O — CID 103227508

IUPAC2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)n1nc(C)cc1C
InChIInChI=1S/C10H19N3O/c1-8-5-9(2)13(12-8)10(6-11-3)7-14-4/h5,10-11H,6-7H2,1-4H3
InChIKeyPPTAHSUSCRHLKK-UHFFFAOYSA-N
MW197.28 g/mol
LogP0.91
Rot. Bonds5

About 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine

2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine (PubChem CID 103227508) has the molecular formula C10H19N3O and a molecular weight of 197.28 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
PubChem CID103227508
Molecular FormulaC10H19N3O
Molecular Weight197.28 g/mol
Exact Mass197.15
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine
SMILESCNCC(COC)n1nc(C)cc1C
InChIInChI=1S/C10H19N3O/c1-8-5-9(2)13(12-8)10(6-11-3)7-14-4/h5,10-11H,6-7H2,1-4H3
InChIKeyPPTAHSUSCRHLKK-UHFFFAOYSA-N
XLogP0.91
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.28
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine (CID 103227508) is 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine is CNCC(COC)n1nc(C)cc1C.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
The InChIKey is PPTAHSUSCRHLKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O/c1-8-5-9(2)13(12-8)10(6-11-3)7-14-4/h5,10-11H,6-7H2,1-4H3.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine?
2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine has a molecular weight of 197.28 g/mol, XLogP of 0.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-3-methoxy-N-methylpropan-1-amine is sourced from PubChem (CID 103227508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).