2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol

C16H15F2N3OS — CID 110924517

IUPAC2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2cccs2)cc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3OS/c17-12-4-3-11(8-13(12)18)10-19-16-9-14(15-2-1-7-23-15)20-21(16)5-6-22/h1-4,7-9,19,22H,5-6,10H2
InChIKeyMUAZUSZGBBBSTE-UHFFFAOYSA-N
MW335.38 g/mol
LogP3.49
Rot. Bonds6

About 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol

2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol (PubChem CID 110924517) has the molecular formula C16H15F2N3OS and a molecular weight of 335.38 g/mol. Its IUPAC name is 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol
PubChem CID110924517
Molecular FormulaC16H15F2N3OS
Molecular Weight335.38 g/mol
Exact Mass335.09
IUPAC Name2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2cccs2)cc1NCc1ccc(F)c(F)c1
InChIInChI=1S/C16H15F2N3OS/c17-12-4-3-11(8-13(12)18)10-19-16-9-14(15-2-1-7-23-15)20-21(16)5-6-22/h1-4,7-9,19,22H,5-6,10H2
InChIKeyMUAZUSZGBBBSTE-UHFFFAOYSA-N
XLogP3.49
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.38
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol (CID 110924517) is 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol is OCCn1nc(-c2cccs2)cc1NCc1ccc(F)c(F)c1.
What is the InChIKey of 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The InChIKey is MUAZUSZGBBBSTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N3OS/c17-12-4-3-11(8-13(12)18)10-19-16-9-14(15-2-1-7-23-15)20-21(16)5-6-22/h1-4,7-9,19,22H,5-6,10H2.
What are the key properties of 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol has a molecular weight of 335.38 g/mol, XLogP of 3.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3,4-difluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110924517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).