2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol

C15H21N3O3 — CID 79568798

IUPAC2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
SMILESCOc1ccc(NCc2cnn(C)c2C)cc1OCCO
InChIInChI=1S/C15H21N3O3/c1-11-12(10-17-18(11)2)9-16-13-4-5-14(20-3)15(8-13)21-7-6-19/h4-5,8,10,16,19H,6-7,9H2,1-3H3
InChIKeyHTNGQUKCGQCVBI-UHFFFAOYSA-N
MW291.35 g/mol
LogP1.72
Rot. Bonds7

About 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol

2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol (PubChem CID 79568798) has the molecular formula C15H21N3O3 and a molecular weight of 291.35 g/mol. Its IUPAC name is 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol.

Molecular Properties

Compound Name2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
PubChem CID79568798
Molecular FormulaC15H21N3O3
Molecular Weight291.35 g/mol
Exact Mass291.16
IUPAC Name2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol
SMILESCOc1ccc(NCc2cnn(C)c2C)cc1OCCO
InChIInChI=1S/C15H21N3O3/c1-11-12(10-17-18(11)2)9-16-13-4-5-14(20-3)15(8-13)21-7-6-19/h4-5,8,10,16,19H,6-7,9H2,1-3H3
InChIKeyHTNGQUKCGQCVBI-UHFFFAOYSA-N
XLogP1.72
TPSA68.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[(1,5-dimethylpyrazol-4-yl)methyl]-3,4-diethoxyaniline
CID 79568768
2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]ethanol
CID 109482346
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-methoxypyridin-4-amine
CID 106048244
N-[(1,5-dimethylpyrazol-4-yl)methyl]-6-(2-methoxyethoxy)pyridin-3-amine
CID 79578632
3-[(1,5-dimethylpyrazol-4-yl)methylamino]-4-methoxybenzamide
CID 79578897
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-methylaniline
CID 19619046
methyl 2-amino-5-[(1,5-dimethylpyrazol-4-yl)methylamino]benzoate
CID 106039348
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-ethoxy-4-nitroaniline
CID 103858353
2-[5-[(5-bromothiophen-2-yl)methylamino]-2-methoxyphenoxy]ethanol
CID 43751478
methyl 2-[4-[(1,5-dimethylpyrazol-4-yl)methylamino]phenoxy]acetate
CID 79570390
N-[(1,5-dimethylpyrazol-4-yl)methyl]-4-fluoroaniline
CID 19619060
4-bromo-N-[(1,5-dimethylpyrazol-4-yl)methyl]aniline
CID 79578438

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol?
The IUPAC name of 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol (CID 79568798) is 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol.
What is the SMILES notation for 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol?
The canonical SMILES for 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol is COc1ccc(NCc2cnn(C)c2C)cc1OCCO.
What is the InChIKey of 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol?
The InChIKey is HTNGQUKCGQCVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3/c1-11-12(10-17-18(11)2)9-16-13-4-5-14(20-3)15(8-13)21-7-6-19/h4-5,8,10,16,19H,6-7,9H2,1-3H3.
What are the key properties of 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol?
2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol has a molecular weight of 291.35 g/mol, XLogP of 1.72, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1,5-dimethylpyrazol-4-yl)methylamino]-2-methoxyphenoxy]ethanol is sourced from PubChem (CID 79568798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).