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

C11H21N3O2 — CID 115722605

IUPAC4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3O2/c1-9(10-6-12-14(2)7-10)13-11(4-5-15)8-16-3/h6-7,9,11,13,15H,4-5,8H2,1-3H3
InChIKeyYLAHRDUDBCYCOC-UHFFFAOYSA-N
MW227.31 g/mol
LogP0.47
Rot. Bonds7

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

4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol (PubChem CID 115722605) has the molecular formula C11H21N3O2 and a molecular weight of 227.31 g/mol. Its IUPAC name is 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol.

Molecular Properties

Compound Name4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
PubChem CID115722605
Molecular FormulaC11H21N3O2
Molecular Weight227.31 g/mol
Exact Mass227.16
IUPAC Name4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol
SMILESCOCC(CCO)NC(C)c1cnn(C)c1
InChIInChI=1S/C11H21N3O2/c1-9(10-6-12-14(2)7-10)13-11(4-5-15)8-16-3/h6-7,9,11,13,15H,4-5,8H2,1-3H3
InChIKeyYLAHRDUDBCYCOC-UHFFFAOYSA-N
XLogP0.47
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.31
LogP ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-3-[1-(1-phenylpyrazol-4-yl)ethylamino]butan-1-ol
CID 103785449
4-[1-[(4-hydroxy-1-methoxybutan-2-yl)amino]ethyl]phenol
CID 114151398
2-(4-methoxybutan-2-ylamino)-2-(1-methylpyrazol-4-yl)ethanol
CID 115896723
3-[1-(1-methylpyrazol-4-yl)ethylamino]-2-methylsulfanylbutan-1-ol
CID 115722526
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
3-[1-(4-imidazol-1-ylphenyl)ethylamino]-4-methoxybutan-1-ol
CID 103785496
4-methoxy-3-[1-(4-propoxyphenyl)ethylamino]butan-1-ol
CID 103785549
3-[1-(1-ethylpyrazol-4-yl)ethylamino]butan-1-ol
CID 81338161
4-methoxy-3-(1-pyridin-2-ylethylamino)butan-1-ol
CID 115872140
(3R)-3-amino-3-(1-methylpyrazol-4-yl)propan-1-ol
CID 94420132
N-[2-(2-methylpropoxy)ethyl]-1-(1-methylpyrazol-4-yl)ethanamine
CID 115713690
N-ethyl-1-(1-methylpyrazol-4-yl)ethanamine
CID 43492401

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol?
The IUPAC name of 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol (CID 115722605) is 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol.
What is the SMILES notation for 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol?
The canonical SMILES for 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol is COCC(CCO)NC(C)c1cnn(C)c1.
What is the InChIKey of 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol?
The InChIKey is YLAHRDUDBCYCOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H21N3O2/c1-9(10-6-12-14(2)7-10)13-11(4-5-15)8-16-3/h6-7,9,11,13,15H,4-5,8H2,1-3H3.
What are the key properties of 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol?
4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol has a molecular weight of 227.31 g/mol, XLogP of 0.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[1-(1-methylpyrazol-4-yl)ethylamino]butan-1-ol is sourced from PubChem (CID 115722605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).