2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol

C18H21N3O3 — CID 110928756

IUPAC2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCOc1cccc(-c2cc(NCc3ccc(C)o3)n(CCO)n2)c1
InChIInChI=1S/C18H21N3O3/c1-13-6-7-16(24-13)12-19-18-11-17(20-21(18)8-9-22)14-4-3-5-15(10-14)23-2/h3-7,10-11,19,22H,8-9,12H2,1-2H3
InChIKeyXMKWSPPJKACKMV-UHFFFAOYSA-N
MW327.38 g/mol
LogP3.06
Rot. Bonds7

About 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol

2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol (PubChem CID 110928756) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol
PubChem CID110928756
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol
SMILESCOc1cccc(-c2cc(NCc3ccc(C)o3)n(CCO)n2)c1
InChIInChI=1S/C18H21N3O3/c1-13-6-7-16(24-13)12-19-18-11-17(20-21(18)8-9-22)14-4-3-5-15(10-14)23-2/h3-7,10-11,19,22H,8-9,12H2,1-2H3
InChIKeyXMKWSPPJKACKMV-UHFFFAOYSA-N
XLogP3.06
TPSA72.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3-methoxyphenyl)-5-(pyridin-3-ylmethylamino)pyrazol-1-yl]ethanol
CID 110924557
2-[5-[(4-methoxyphenyl)methylamino]-3-phenylpyrazol-1-yl]ethanol
CID 110924499
methyl 5-[[3,5-bis(3-methoxyphenyl)pyrazol-1-yl]methyl]furan-2-carboxylate
CID 19585888
N-[[5-(3-methoxyphenyl)furan-2-yl]methyl]ethanamine
CID 106886886
4-(hydroxymethyl)-6-(3-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446808
1-(3-methoxyphenyl)-N-[(5-methylfuran-2-yl)methyl]ethanamine
CID 54863619
1-(3-methoxyphenyl)-2-[(5-methylfuran-2-yl)methylamino]ethanol
CID 78954234
2-[(3-methoxyphenyl)methylamino]-4-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidine-5-carboxamide
CID 20959670
2-(3,3-dimethyl-2-oxobutyl)-6-(3-methoxyphenyl)pyridazin-3-one
CID 51044276
N-[(4-methoxyphenyl)methyl]-4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885202
ethyl 4-[3-(3-methoxyphenyl)-6-oxopyridazin-1-yl]-3-oxobutanoate
CID 7664984
5-(3-chlorophenyl)-1-methyl-N-[(5-methylfuran-2-yl)methyl]imidazol-2-amine
CID 45147023

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol?
The IUPAC name of 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol (CID 110928756) is 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol?
The canonical SMILES for 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol is COc1cccc(-c2cc(NCc3ccc(C)o3)n(CCO)n2)c1.
What is the InChIKey of 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol?
The InChIKey is XMKWSPPJKACKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-13-6-7-16(24-13)12-19-18-11-17(20-21(18)8-9-22)14-4-3-5-15(10-14)23-2/h3-7,10-11,19,22H,8-9,12H2,1-2H3.
What are the key properties of 2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol?
2-[3-(3-methoxyphenyl)-5-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol has a molecular weight of 327.38 g/mol, XLogP of 3.06, 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-[(5-methylfuran-2-yl)methylamino]pyrazol-1-yl]ethanol is sourced from PubChem (CID 110928756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).