4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol

C12H23N3O2 — CID 113381760

IUPAC4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCOc1c(CNC(C)CC(C)O)c(C)nn1C
InChIInChI=1S/C12H23N3O2/c1-8(6-9(2)16)13-7-11-10(3)14-15(4)12(11)17-5/h8-9,13,16H,6-7H2,1-5H3
InChIKeyVMVJJZYEPJDEFF-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.99
Rot. Bonds6

About 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol

4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol (PubChem CID 113381760) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol.

Molecular Properties

Compound Name4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
PubChem CID113381760
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
SMILESCOc1c(CNC(C)CC(C)O)c(C)nn1C
InChIInChI=1S/C12H23N3O2/c1-8(6-9(2)16)13-7-11-10(3)14-15(4)12(11)17-5/h8-9,13,16H,6-7H2,1-5H3
InChIKeyVMVJJZYEPJDEFF-UHFFFAOYSA-N
XLogP0.99
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.33
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-6-methylheptan-2-amine
CID 115608261
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
(2S)-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-N,N,3-trimethylbutanamide
CID 94823326
(1R)-1-cyclopentyl-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860862
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-pyridin-4-ylethanamine
CID 104860868
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-1-pyrrolidin-1-ylpropan-1-one
CID 115615260
1-(3-chlorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-2-amine
CID 115608410
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(5-methylthiophen-2-yl)ethanamine
CID 115600765
(1R)-1-(furan-2-yl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860866
(1R)-1-(2-fluorophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 104860855
(1S)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-(3-methoxyphenyl)ethanamine
CID 104860852

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
The IUPAC name of 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol (CID 113381760) is 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol.
What is the SMILES notation for 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
The canonical SMILES for 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol is COc1c(CNC(C)CC(C)O)c(C)nn1C.
What is the InChIKey of 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
The InChIKey is VMVJJZYEPJDEFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-8(6-9(2)16)13-7-11-10(3)14-15(4)12(11)17-5/h8-9,13,16H,6-7H2,1-5H3.
What are the key properties of 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol?
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol has a molecular weight of 241.33 g/mol, XLogP of 0.99, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol is sourced from PubChem (CID 113381760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).