1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol

C12H23N3O — CID 115767901

IUPAC1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cn(C)nc1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(3,16)9-13-7-11-8-15(4)14-10(11)2/h8,13,16H,5-7,9H2,1-4H3
InChIKeyILFJSLANGMOKND-UHFFFAOYSA-N
MW225.34 g/mol
LogP1.37
Rot. Bonds6

About 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol

1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol (PubChem CID 115767901) has the molecular formula C12H23N3O and a molecular weight of 225.34 g/mol. Its IUPAC name is 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
PubChem CID115767901
Molecular FormulaC12H23N3O
Molecular Weight225.34 g/mol
Exact Mass225.18
IUPAC Name1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol
SMILESCCCC(C)(O)CNCc1cn(C)nc1C
InChIInChI=1S/C12H23N3O/c1-5-6-12(3,16)9-13-7-11-8-15(4)14-10(11)2/h8,13,16H,5-7,9H2,1-4H3
InChIKeyILFJSLANGMOKND-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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Related Compounds

1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 109481950
2-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-1-ol
CID 109482003
N-[(1,3-dimethylpyrazol-4-yl)methyl]decan-1-amine
CID 83089811
ethyl 2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetate
CID 83088889
2-[[(2-hydroxy-2-methylpentyl)amino]methyl]phenol
CID 115623477
2-[(1,3-dimethylpyrazol-4-yl)methylcarbamoylamino]-2-methylpentanoic acid
CID 115991321
N'-[(1,3-dimethylpyrazol-4-yl)methyl]-N-ethylpropane-1,3-diamine
CID 102801492
ethyl 3-[(1,3-dimethylpyrazol-4-yl)methylamino]propanoate
CID 83089230
2-[(1,3-dimethylpyrazol-4-yl)methylamino]acetonitrile
CID 112669035
1-(1,3-dimethylpyrazol-4-yl)-N-[(1-methyl-3-propan-2-ylpyrazol-4-yl)methyl]methanamine
CID 112705302
2-methyl-1-[(2,4,5-trifluorophenyl)methylamino]pentan-2-ol
CID 113263596
2-cyano-N-[(1,3-dimethylpyrazol-4-yl)methyl]-2-propylpentanamide
CID 115990104

Frequently Asked Questions

What is the IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol?
The IUPAC name of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol (CID 115767901) is 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol.
What is the SMILES notation for 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol?
The canonical SMILES for 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol is CCCC(C)(O)CNCc1cn(C)nc1C.
What is the InChIKey of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol?
The InChIKey is ILFJSLANGMOKND-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O/c1-5-6-12(3,16)9-13-7-11-8-15(4)14-10(11)2/h8,13,16H,5-7,9H2,1-4H3.
What are the key properties of 1-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol?
1-[(1,3-dimethylpyrazol-4-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-[(1,3-dimethylpyrazol-4-yl)methylamino]-2-methylpentan-2-ol is sourced from PubChem (CID 115767901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).