2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol

C18H20N4O2 — CID 110924557

IUPAC2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCOc1cccc(-c2cc(NCc3cccnc3)n(CCO)n2)c1
InChIInChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(10-16)17-11-18(22(21-17)8-9-23)20-13-14-4-3-7-19-12-14/h2-7,10-12,20,23H,8-9,13H2,1H3
InChIKeyCZKNZMXWCNLPGV-UHFFFAOYSA-N
MW324.38 g/mol
LogP2.56
Rot. Bonds7

About 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol

2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol (PubChem CID 110924557) has the molecular formula C18H20N4O2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
PubChem CID110924557
Molecular FormulaC18H20N4O2
Molecular Weight324.38 g/mol
Exact Mass324.16
IUPAC Name2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
SMILESCOc1cccc(-c2cc(NCc3cccnc3)n(CCO)n2)c1
InChIInChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(10-16)17-11-18(22(21-17)8-9-23)20-13-14-4-3-7-19-12-14/h2-7,10-12,20,23H,8-9,13H2,1H3
InChIKeyCZKNZMXWCNLPGV-UHFFFAOYSA-N
XLogP2.56
TPSA72.20 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol
CID 110928756
2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
CID 110924499
2-[3-(2-methylfuran-3-yl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924575
3-(3-methoxyphenyl)-1-(4-methoxyphenyl)-N-(pyridin-3-ylmethyl)pyrazole-5-carboxamide
CID 4282121
4-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-6-(trichloromethyl)-1,3,5-triazin-2-amine
CID 118250410
trans-(1S,2S)-N-[2-[5-(3-methoxyphenyl)-3-pyridin-3-ylpyrazol-1-yl]ethyl]-2-methylcyclopropane-1-carboxamide
CID 92583705
5-(3-methoxyphenyl)-1-phenyl-N-(pyridin-3-ylmethyl)-1,2,4-triazole-3-carboxamide
CID 17052447
5-(3-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1-methylimidazol-2-amine;oxalic acid
CID 126468009
5-methoxy-2-methyl-N-(pyridin-3-ylmethyl)aniline;molecular hydrogen
CID 144774827
3-(3-methoxyphenyl)-N-(pyridin-3-ylmethyl)-[1,2]oxazolo[5,4-d]pyrimidin-4-amine
CID 46359577
1-[5-(benzylamino)-3-pyridin-3-ylpyrazol-1-yl]ethanone
CID 67454284
2-[3-(4-propylphenyl)-5-(1,3-thiazol-5-ylmethylamino)pyrazol-1-yl]ethanol
CID 75429650

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol (CID 110924557) is 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol is COc1cccc(-c2cc(NCc3cccnc3)n(CCO)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
The InChIKey is CZKNZMXWCNLPGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2/c1-24-16-6-2-5-15(10-16)17-11-18(22(21-17)8-9-23)20-13-14-4-3-7-19-12-14/h2-7,10-12,20,23H,8-9,13H2,1H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol?
2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol has a molecular weight of 324.38 g/mol, XLogP of 2.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol is sourced from PubChem (CID 110924557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).