2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol

C18H20FN3O2 — CID 70757460

IUPAC2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol
SMILESCc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)CCO)o1
InChIInChI=1S/C18H20FN3O2/c1-13-6-7-17(24-13)18-14(11-21(2)8-9-23)12-22(20-18)16-5-3-4-15(19)10-16/h3-7,10,12,23H,8-9,11H2,1-2H3
InChIKeyCWGPUDHTQXHCNW-UHFFFAOYSA-N
MW329.38 g/mol
LogP3.00
Rot. Bonds6

About 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol

2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol (PubChem CID 70757460) has the molecular formula C18H20FN3O2 and a molecular weight of 329.38 g/mol. Its IUPAC name is 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol.

Molecular Properties

Compound Name2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol
PubChem CID70757460
Molecular FormulaC18H20FN3O2
Molecular Weight329.38 g/mol
Exact Mass329.15
IUPAC Name2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol
SMILESCc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)CCO)o1
InChIInChI=1S/C18H20FN3O2/c1-13-6-7-17(24-13)18-14(11-21(2)8-9-23)12-22(20-18)16-5-3-4-15(19)10-16/h3-7,10,12,23H,8-9,11H2,1-2H3
InChIKeyCWGPUDHTQXHCNW-UHFFFAOYSA-N
XLogP3.00
TPSA54.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.38
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 818637
CID 818637
CID 805325
CID 805325
CID 740225
CID 740225
CID 876610
CID 876610
CID 877185
CID 877185
CID 976452
CID 976452
CID 977044
CID 977044
CID 980133
CID 980133
CID 1288057
CID 1288057
CID 2121569
CID 2121569
CID 2121573
CID 2121573
CID 2121904
CID 2121904

Frequently Asked Questions

What is the IUPAC name of 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol?
The IUPAC name of 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol (CID 70757460) is 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol.
What is the SMILES notation for 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol?
The canonical SMILES for 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol is Cc1ccc(-c2nn(-c3cccc(F)c3)cc2CN(C)CCO)o1.
What is the InChIKey of 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol?
The InChIKey is CWGPUDHTQXHCNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3O2/c1-13-6-7-17(24-13)18-14(11-21(2)8-9-23)12-22(20-18)16-5-3-4-15(19)10-16/h3-7,10,12,23H,8-9,11H2,1-2H3.
What are the key properties of 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol?
2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol has a molecular weight of 329.38 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-(3-fluorophenyl)-3-(5-methylfuran-2-yl)pyrazol-4-yl]methyl-methylamino]ethanol is sourced from PubChem (CID 70757460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).