2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol

C11H19N3O — CID 134612847

IUPAC2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol
SMILESCc1nn(C)c(C)c1/C=N/C(C)(C)CO
InChIInChI=1S/C11H19N3O/c1-8-10(9(2)14(5)13-8)6-12-11(3,4)7-15/h6,15H,7H2,1-5H3/b12-6+
InChIKeyWTZSPVIKAGLENY-WUXMJOGZSA-N
MW209.29 g/mol
LogP1.23
Rot. Bonds3

About 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol

2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol (PubChem CID 134612847) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol.

Molecular Properties

Compound Name2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol
PubChem CID134612847
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC Name2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol
SMILESCc1nn(C)c(C)c1/C=N/C(C)(C)CO
InChIInChI=1S/C11H19N3O/c1-8-10(9(2)14(5)13-8)6-12-11(3,4)7-15/h6,15H,7H2,1-5H3/b12-6+
InChIKeyWTZSPVIKAGLENY-WUXMJOGZSA-N
XLogP1.23
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol?
The IUPAC name of 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol (CID 134612847) is 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol.
What is the SMILES notation for 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol?
The canonical SMILES for 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol is Cc1nn(C)c(C)c1/C=N/C(C)(C)CO.
What is the InChIKey of 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol?
The InChIKey is WTZSPVIKAGLENY-WUXMJOGZSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8-10(9(2)14(5)13-8)6-12-11(3,4)7-15/h6,15H,7H2,1-5H3/b12-6+.
What are the key properties of 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol?
2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol has a molecular weight of 209.29 g/mol, XLogP of 1.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(1,3,5-trimethylpyrazol-4-yl)methylideneamino]propan-1-ol is sourced from PubChem (CID 134612847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).