1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol

C12H23N3O — CID 106293010

IUPAC1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cc(C)nn1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(3,16)9-13-8-11-7-10(2)14-15(11)4/h7,13,16H,5-6,8-9H2,1-4H3
InChIKeyWFTKKYGFSNSAIY-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds6

About 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol

1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol (PubChem CID 106293010) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
PubChem CID106293010
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cc(C)nn1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(3,16)9-13-8-11-7-10(2)14-15(11)4/h7,13,16H,5-6,8-9H2,1-4H3
InChIKeyWFTKKYGFSNSAIY-UHFFFAOYSA-N
XLogP1.37
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.34
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol (CID 106293010) is 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1cc(C)nn1C.
What is the InChIKey of 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol?
The InChIKey is WFTKKYGFSNSAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-12(3,16)9-13-8-11-7-10(2)14-15(11)4/h7,13,16H,5-6,8-9H2,1-4H3.
What are the key properties of 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol?
1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol has a molecular weight of 225.34 g/mol, XLogP of 1.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,5-dimethylpyrazol-3-yl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 106293010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).