2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

C14H25N3O3 — CID 99941393

IUPAC2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN(C)C[C@H]1COCCO1
InChIInChI=1S/C14H25N3O3/c1-11-14(12(2)17(15-11)4-5-18)9-16(3)8-13-10-19-6-7-20-13/h13,18H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyZDMBHHJFJYBRAS-ZDUSSCGKSA-N
MW283.37 g/mol
LogP0.34
Rot. Bonds6

About 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol

2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (PubChem CID 99941393) has the molecular formula C14H25N3O3 and a molecular weight of 283.37 g/mol. Its IUPAC name is 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
PubChem CID99941393
Molecular FormulaC14H25N3O3
Molecular Weight283.37 g/mol
Exact Mass283.19
IUPAC Name2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol
SMILESCc1nn(CCO)c(C)c1CN(C)C[C@H]1COCCO1
InChIInChI=1S/C14H25N3O3/c1-11-14(12(2)17(15-11)4-5-18)9-16(3)8-13-10-19-6-7-20-13/h13,18H,4-10H2,1-3H3/t13-/m0/s1
InChIKeyZDMBHHJFJYBRAS-ZDUSSCGKSA-N
XLogP0.34
TPSA59.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol (CID 99941393) is 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is Cc1nn(CCO)c(C)c1CN(C)C[C@H]1COCCO1.
What is the InChIKey of 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
The InChIKey is ZDMBHHJFJYBRAS-ZDUSSCGKSA-N. The full InChI is InChI=1S/C14H25N3O3/c1-11-14(12(2)17(15-11)4-5-18)9-16(3)8-13-10-19-6-7-20-13/h13,18H,4-10H2,1-3H3/t13-/m0/s1.
What are the key properties of 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol?
2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol has a molecular weight of 283.37 g/mol, XLogP of 0.34, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[[(2S)-1,4-dioxan-2-yl]methyl-methylamino]methyl]-3,5-dimethylpyrazol-1-yl]ethanol is sourced from PubChem (CID 99941393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).