4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol

C11H21N3O2 — CID 106159828

IUPAC4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NCCc1ccnn1C
InChIInChI=1S/C11H21N3O2/c1-14-11(4-7-13-14)3-6-12-10(5-8-15)9-16-2/h4,7,10,12,15H,3,5-6,8-9H2,1-2H3
InChIKeyMIRRLUWGYMGUBI-UHFFFAOYSA-N
MW227.31 g/mol
LogP-0.05
Rot. Bonds8

About 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol

4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol (PubChem CID 106159828) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
PubChem CID106159828
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NCCc1ccnn1C
InChIInChI=1S/C11H21N3O2/c1-14-11(4-7-13-14)3-6-12-10(5-8-15)9-16-2/h4,7,10,12,15H,3,5-6,8-9H2,1-2H3
InChIKeyMIRRLUWGYMGUBI-UHFFFAOYSA-N
XLogP-0.05
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 5-0.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[(2-propylpyrazol-3-yl)methylamino]butan-1-ol
CID 114151438
2-methoxy-N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 103464752
N-[2-(2-methylpyrazol-3-yl)ethyl]heptan-3-amine
CID 104695096
5-methoxy-4-N-[(2-methylpyrazol-3-yl)methyl]pentane-1,4-diamine
CID 103389928
2-[2-[2-(2-methylpyrazol-3-yl)ethylamino]ethoxy]ethanol
CID 103001295
N-[2-(2-methylpyrazol-3-yl)ethyl]pentan-2-amine
CID 104695080
4-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol
CID 103005787
N-[2-[2-(2-methoxyethoxy)ethoxy]ethyl]-2-(2-methylpyrazol-3-yl)ethanamine
CID 103006076
N-(2-methoxyethyl)-3,3-dimethyl-2-[2-(2-methylpyrazol-3-yl)ethyl]butan-1-amine
CID 103014785
N'-hydroxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]pentanimidamide
CID 103007279
2-(2-methylpyrazol-3-yl)-N-(2-propan-2-yloxyethyl)ethanamine
CID 103002048
N-[2-(2-methylpyrazol-3-yl)ethyl]-1-phenylethanamine
CID 113442203

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol (CID 106159828) is 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol is COCC(CCO)NCCc1ccnn1C.
What is the InChIKey of 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
The InChIKey is MIRRLUWGYMGUBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-14-11(4-7-13-14)3-6-12-10(5-8-15)9-16-2/h4,7,10,12,15H,3,5-6,8-9H2,1-2H3.
What are the key properties of 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol?
4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol has a molecular weight of 227.31 g/mol, XLogP of -0.05, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[2-(2-methylpyrazol-3-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 106159828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).