2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol

C17H25N3O2 — CID 86808519

IUPAC2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNCc2cn[nH]c2C(C)(C)C)cc1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)16-13(10-19-20-16)9-18-11-15(21)12-5-7-14(22-4)8-6-12/h5-8,10,15,18,21H,9,11H2,1-4H3,(H,19,20)
InChIKeyGWOBSLLMFGJBPP-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.54
Rot. Bonds6

About 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol

2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol (PubChem CID 86808519) has the molecular formula C17H25N3O2 and a molecular weight of 303.41 g/mol. Its IUPAC name is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol.

Molecular Properties

Compound Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
PubChem CID86808519
Molecular FormulaC17H25N3O2
Molecular Weight303.41 g/mol
Exact Mass303.19
IUPAC Name2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol
SMILESCOc1ccc(C(O)CNCc2cn[nH]c2C(C)(C)C)cc1
InChIInChI=1S/C17H25N3O2/c1-17(2,3)16-13(10-19-20-16)9-18-11-15(21)12-5-7-14(22-4)8-6-12/h5-8,10,15,18,21H,9,11H2,1-4H3,(H,19,20)
InChIKeyGWOBSLLMFGJBPP-UHFFFAOYSA-N
XLogP2.54
TPSA70.17 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579607
(1R)-2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-methoxyphenyl)ethanol
CID 95579606
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(3-propan-2-yloxyphenyl)ethanol
CID 111423546
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(2-chlorophenyl)ethanol
CID 111448944
(2S)-N-[(5-tert-butyl-1H-pyrazol-4-yl)methyl]-2-methoxy-2-phenylethanamine
CID 95580794
1-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-3-(1-phenylethoxy)propan-2-ol
CID 47625050
1-(furan-2-yl)-2-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]ethanol
CID 110889941
2-[(4-methoxyphenyl)methylamino]-1-(4-methylphenyl)ethanol
CID 82312256
2-[(2,4-dimethoxyphenyl)methylamino]-1-(4-fluorophenyl)ethanol
CID 73211515
1-methoxy-3-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methylamino]propan-2-ol
CID 111425263
2-(1-benzothiophen-3-ylmethylamino)-1-(4-methoxyphenyl)ethanol
CID 110889955
1-(4-methoxyphenyl)-2-(prop-2-ynylamino)ethanol
CID 60903384

Frequently Asked Questions

What is the IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The IUPAC name of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol (CID 86808519) is 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol.
What is the SMILES notation for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The canonical SMILES for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol is COc1ccc(C(O)CNCc2cn[nH]c2C(C)(C)C)cc1.
What is the InChIKey of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
The InChIKey is GWOBSLLMFGJBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O2/c1-17(2,3)16-13(10-19-20-16)9-18-11-15(21)12-5-7-14(22-4)8-6-12/h5-8,10,15,18,21H,9,11H2,1-4H3,(H,19,20).
What are the key properties of 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol?
2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol has a molecular weight of 303.41 g/mol, XLogP of 2.54, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-tert-butyl-1H-pyrazol-4-yl)methylamino]-1-(4-methoxyphenyl)ethanol is sourced from PubChem (CID 86808519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).