1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol

C18H16F3N3O — CID 51089422

IUPAC1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
SMILESOC(CNCc1cn[nH]c1-c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F3N3O/c19-14-4-1-11(2-5-14)18-13(9-23-24-18)8-22-10-17(25)12-3-6-15(20)16(21)7-12/h1-7,9,17,22,25H,8,10H2,(H,23,24)
InChIKeyBIPKYDMGHSJNCR-UHFFFAOYSA-N
MW347.34 g/mol
LogP3.32
Rot. Bonds6

About 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol

1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol (PubChem CID 51089422) has the molecular formula C18H16F3N3O and a molecular weight of 347.34 g/mol. Its IUPAC name is 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol.

Molecular Properties

Compound Name1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
PubChem CID51089422
Molecular FormulaC18H16F3N3O
Molecular Weight347.34 g/mol
Exact Mass347.12
IUPAC Name1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol
SMILESOC(CNCc1cn[nH]c1-c1ccc(F)cc1)c1ccc(F)c(F)c1
InChIInChI=1S/C18H16F3N3O/c19-14-4-1-11(2-5-14)18-13(9-23-24-18)8-22-10-17(25)12-3-6-15(20)16(21)7-12/h1-7,9,17,22,25H,8,10H2,(H,23,24)
InChIKeyBIPKYDMGHSJNCR-UHFFFAOYSA-N
XLogP3.32
TPSA60.94 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.34
LogP ≤ 53.32
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
The IUPAC name of 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol (CID 51089422) is 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol.
What is the SMILES notation for 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
The canonical SMILES for 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol is OC(CNCc1cn[nH]c1-c1ccc(F)cc1)c1ccc(F)c(F)c1.
What is the InChIKey of 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
The InChIKey is BIPKYDMGHSJNCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N3O/c19-14-4-1-11(2-5-14)18-13(9-23-24-18)8-22-10-17(25)12-3-6-15(20)16(21)7-12/h1-7,9,17,22,25H,8,10H2,(H,23,24).
What are the key properties of 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol?
1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol has a molecular weight of 347.34 g/mol, XLogP of 3.32, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-difluorophenyl)-2-[[5-(4-fluorophenyl)-1H-pyrazol-4-yl]methylamino]ethanol is sourced from PubChem (CID 51089422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).