2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol

C16H16FN3OS — CID 110924516

IUPAC2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2cccs2)cc1NCc1cccc(F)c1
InChIInChI=1S/C16H16FN3OS/c17-13-4-1-3-12(9-13)11-18-16-10-14(15-5-2-8-22-15)19-20(16)6-7-21/h1-5,8-10,18,21H,6-7,11H2
InChIKeyFEGMHEOPZSJQTO-UHFFFAOYSA-N
MW317.39 g/mol
LogP3.36
Rot. Bonds6

About 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol

2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol (PubChem CID 110924516) has the molecular formula C16H16FN3OS and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol
PubChem CID110924516
Molecular FormulaC16H16FN3OS
Molecular Weight317.39 g/mol
Exact Mass317.10
IUPAC Name2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol
SMILESOCCn1nc(-c2cccs2)cc1NCc1cccc(F)c1
InChIInChI=1S/C16H16FN3OS/c17-13-4-1-3-12(9-13)11-18-16-10-14(15-5-2-8-22-15)19-20(16)6-7-21/h1-5,8-10,18,21H,6-7,11H2
InChIKeyFEGMHEOPZSJQTO-UHFFFAOYSA-N
XLogP3.36
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The IUPAC name of 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol (CID 110924516) is 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol.
What is the SMILES notation for 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The canonical SMILES for 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol is OCCn1nc(-c2cccs2)cc1NCc1cccc(F)c1.
What is the InChIKey of 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
The InChIKey is FEGMHEOPZSJQTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN3OS/c17-13-4-1-3-12(9-13)11-18-16-10-14(15-5-2-8-22-15)19-20(16)6-7-21/h1-5,8-10,18,21H,6-7,11H2.
What are the key properties of 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol?
2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol has a molecular weight of 317.39 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-fluorophenyl)methylamino]-3-thiophen-2-ylpyrazol-1-yl]ethanol is sourced from PubChem (CID 110924516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).