2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol

C18H27N3O2 — CID 109479376

IUPAC2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
SMILESCCc1nn(C)c(CC)c1CNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C18H27N3O2/c1-5-16-15(17(6-2)21(3)20-16)11-19-12-18(22)13-7-9-14(23-4)10-8-13/h7-10,18-19,22H,5-6,11-12H2,1-4H3
InChIKeyBZXMZAWIDFKQOB-UHFFFAOYSA-N
MW317.43 g/mol
LogP2.38
Rot. Bonds8

About 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol

2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol (PubChem CID 109479376) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
PubChem CID109479376
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC Name2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
SMILESCCc1nn(C)c(CC)c1CNCC(O)c1ccc(OC)cc1
InChIInChI=1S/C18H27N3O2/c1-5-16-15(17(6-2)21(3)20-16)11-19-12-18(22)13-7-9-14(23-4)10-8-13/h7-10,18-19,22H,5-6,11-12H2,1-4H3
InChIKeyBZXMZAWIDFKQOB-UHFFFAOYSA-N
XLogP2.38
TPSA59.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 111421648
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-ethyl-2-[(4-methoxyphenyl)methyl]guanidine;hydroiodide
CID 109401444
(1R)-2-[(1,3-dimethylpyrazolo[5,4-b]pyridin-5-yl)methylamino]-1-(4-methoxyphenyl)ethanol
CID 94182625
1-[(3,5-diethyl-1-methylpyrazol-4-yl)methyl]-3-[2-(4-methoxyphenoxy)ethyl]-2-methylguanidine
CID 109403328
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
N-ethyl-2-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]acetamide
CID 54938253
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384
2-(4-ethylanilino)-1-(4-methoxyphenyl)ethanol
CID 60901649
1-(4-methoxyphenyl)-2-[(1-methylpyrazol-3-yl)amino]ethanol
CID 79778765
1,1-difluoro-3-[[2-hydroxy-2-(4-methoxyphenyl)ethyl]amino]propan-2-ol
CID 114093465
2-hydrazinyl-1-(4-methoxyphenyl)ethanol
CID 21361112
1-(4-methoxyphenyl)-2-(3-methylsulfanylpropylamino)ethanol
CID 60760535

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol (CID 109479376) is 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol is CCc1nn(C)c(CC)c1CNCC(O)c1ccc(OC)cc1.
What is the InChIKey of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is BZXMZAWIDFKQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O2/c1-5-16-15(17(6-2)21(3)20-16)11-19-12-18(22)13-7-9-14(23-4)10-8-13/h7-10,18-19,22H,5-6,11-12H2,1-4H3.
What are the key properties of 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 317.43 g/mol, XLogP of 2.38, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-diethyl-1-methylpyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 109479376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).