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

C12H23N3O2 — CID 113463407

IUPAC2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1c(C)nn(C)c1OC
InChIInChI=1S/C12H23N3O2/c1-6-12(3,8-16)13-7-10-9(2)14-15(4)11(10)17-5/h13,16H,6-8H2,1-5H3
InChIKeyOUJBDYBGAOPHCB-UHFFFAOYSA-N
MW241.33 g/mol
LogP0.99
Rot. Bonds6

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

2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol (PubChem CID 113463407) has the molecular formula C12H23N3O2 and a molecular weight of 241.33 g/mol. Its IUPAC name is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol.

Molecular Properties

Compound Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol
PubChem CID113463407
Molecular FormulaC12H23N3O2
Molecular Weight241.33 g/mol
Exact Mass241.18
IUPAC Name2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol
SMILESCCC(C)(CO)NCc1c(C)nn(C)c1OC
InChIInChI=1S/C12H23N3O2/c1-6-12(3,8-16)13-7-10-9(2)14-15(4)11(10)17-5/h13,16H,6-8H2,1-5H3
InChIKeyOUJBDYBGAOPHCB-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

2-ethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 114010486
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]propane-1,3-diol
CID 115655444
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-2-ol
CID 132970502
2-(4-bromophenyl)-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]propan-2-amine
CID 115608408
1-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2,3-dimethylbutan-2-ol
CID 111118536
[4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]phenyl]methanol
CID 115777892
2-[(3,5-dimethyl-1H-pyrazol-4-yl)methylamino]-2-methylbutan-1-ol
CID 64550985
2-methoxy-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]ethanamine
CID 115600579
N,N-diethyl-2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]acetamide
CID 115600773
4-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]pentan-2-ol
CID 113381760
3,5-dichloro-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 115909528
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-2,6-dimethylpyridin-3-amine
CID 104624437

Frequently Asked Questions

What is the IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol?
The IUPAC name of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol (CID 113463407) is 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol.
What is the SMILES notation for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol?
The canonical SMILES for 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol is CCC(C)(CO)NCc1c(C)nn(C)c1OC.
What is the InChIKey of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol?
The InChIKey is OUJBDYBGAOPHCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H23N3O2/c1-6-12(3,8-16)13-7-10-9(2)14-15(4)11(10)17-5/h13,16H,6-8H2,1-5H3.
What are the key properties of 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol?
2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-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 2-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]-2-methylbutan-1-ol is sourced from PubChem (CID 113463407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).