2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol

C17H23N3O — CID 134612814

IUPAC2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N/C(C)(C)CO
InChIInChI=1S/C17H23N3O/c1-13-16(10-18-17(3,4)12-21)14(2)20(19-13)11-15-8-6-5-7-9-15/h5-10,21H,11-12H2,1-4H3/b18-10+
InChIKeyXGUZAXSQYMHFHH-VCHYOVAHSA-N
MW285.39 g/mol
LogP2.74
Rot. Bonds5

About 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol

2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol (PubChem CID 134612814) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol.

Molecular Properties

Compound Name2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
PubChem CID134612814
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol
SMILESCc1nn(Cc2ccccc2)c(C)c1/C=N/C(C)(C)CO
InChIInChI=1S/C17H23N3O/c1-13-16(10-18-17(3,4)12-21)14(2)20(19-13)11-15-8-6-5-7-9-15/h5-10,21H,11-12H2,1-4H3/b18-10+
InChIKeyXGUZAXSQYMHFHH-VCHYOVAHSA-N
XLogP2.74
TPSA50.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.74
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-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The IUPAC name of 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol (CID 134612814) is 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol.
What is the SMILES notation for 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The canonical SMILES for 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol is Cc1nn(Cc2ccccc2)c(C)c1/C=N/C(C)(C)CO.
What is the InChIKey of 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
The InChIKey is XGUZAXSQYMHFHH-VCHYOVAHSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-16(10-18-17(3,4)12-21)14(2)20(19-13)11-15-8-6-5-7-9-15/h5-10,21H,11-12H2,1-4H3/b18-10+.
What are the key properties of 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol?
2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol has a molecular weight of 285.39 g/mol, XLogP of 2.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methylideneamino]-2-methylpropan-1-ol is sourced from PubChem (CID 134612814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).