1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

C15H21N3O2 — CID 60981581

IUPAC1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCOc1ccc(C(O)CN(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C15H21N3O2/c1-17(9-12-8-16-18(2)10-12)11-15(19)13-4-6-14(20-3)7-5-13/h4-8,10,15,19H,9,11H2,1-3H3
InChIKeyGCNIESRDBJVXPF-UHFFFAOYSA-N
MW275.35 g/mol
LogP1.59
Rot. Bonds6

About 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol

1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (PubChem CID 60981581) has the molecular formula C15H21N3O2 and a molecular weight of 275.35 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
PubChem CID60981581
Molecular FormulaC15H21N3O2
Molecular Weight275.35 g/mol
Exact Mass275.16
IUPAC Name1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
SMILESCOc1ccc(C(O)CN(C)Cc2cnn(C)c2)cc1
InChIInChI=1S/C15H21N3O2/c1-17(9-12-8-16-18(2)10-12)11-15(19)13-4-6-14(20-3)7-5-13/h4-8,10,15,19H,9,11H2,1-3H3
InChIKeyGCNIESRDBJVXPF-UHFFFAOYSA-N
XLogP1.59
TPSA50.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 51.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(3-aminophenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 55055591
(1S)-1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 94032091
2-[ethyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 60972520
(1R)-1-(4-methoxyphenyl)-N-[2-(1-methylpyrazol-4-yl)ethyl]ethanamine
CID 103001765
1-(4-ethylphenyl)-N'-methyl-N'-[(1-methylpyrazol-4-yl)methyl]ethane-1,2-diamine
CID 61438554
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-4-yl)amino]ethanol
CID 79769854
2-methyl-3-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]propan-1-ol
CID 115665641
1-N-methyl-1-N-[(1-methylpyrazol-4-yl)methyl]propane-1,2-diamine
CID 61438748
N-[[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]methyl]-N-methyl-1-(1-methylpyrazol-4-yl)methanamine
CID 134000948
1-(4-methoxyphenyl)-3-(1-methylpyrazol-4-yl)propan-1-amine
CID 103008702
1-cyclohexyl-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol
CID 104752674
2-[butyl(methyl)amino]-1-(4-methoxyphenyl)ethanol
CID 54944684

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The IUPAC name of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol (CID 60981581) is 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol.
What is the SMILES notation for 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The canonical SMILES for 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is COc1ccc(C(O)CN(C)Cc2cnn(C)c2)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
The InChIKey is GCNIESRDBJVXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O2/c1-17(9-12-8-16-18(2)10-12)11-15(19)13-4-6-14(20-3)7-5-13/h4-8,10,15,19H,9,11H2,1-3H3.
What are the key properties of 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol?
1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol has a molecular weight of 275.35 g/mol, XLogP of 1.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-2-[methyl-[(1-methylpyrazol-4-yl)methyl]amino]ethanol is sourced from PubChem (CID 60981581), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).