2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol

C18H20FN3OS — CID 146127878

IUPAC2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol
SMILESCc1c(C(C)NCC(O)c2ccsc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-12(20-10-18(23)14-7-8-24-11-14)17-9-21-22(13(17)2)16-5-3-15(19)4-6-16/h3-9,11-12,18,20,23H,10H2,1-2H3
InChIKeyNEFPEEXJAOESCB-UHFFFAOYSA-N
MW345.44 g/mol
LogP3.77
Rot. Bonds6

About 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol

2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol (PubChem CID 146127878) has the molecular formula C18H20FN3OS and a molecular weight of 345.44 g/mol. Its IUPAC name is 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol.

Molecular Properties

Compound Name2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol
PubChem CID146127878
Molecular FormulaC18H20FN3OS
Molecular Weight345.44 g/mol
Exact Mass345.13
IUPAC Name2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol
SMILESCc1c(C(C)NCC(O)c2ccsc2)cnn1-c1ccc(F)cc1
InChIInChI=1S/C18H20FN3OS/c1-12(20-10-18(23)14-7-8-24-11-14)17-9-21-22(13(17)2)16-5-3-15(19)4-6-16/h3-9,11-12,18,20,23H,10H2,1-2H3
InChIKeyNEFPEEXJAOESCB-UHFFFAOYSA-N
XLogP3.77
TPSA50.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.44
LogP ≤ 53.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol?
The IUPAC name of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol (CID 146127878) is 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol.
What is the SMILES notation for 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol?
The canonical SMILES for 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol is Cc1c(C(C)NCC(O)c2ccsc2)cnn1-c1ccc(F)cc1.
What is the InChIKey of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol?
The InChIKey is NEFPEEXJAOESCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN3OS/c1-12(20-10-18(23)14-7-8-24-11-14)17-9-21-22(13(17)2)16-5-3-15(19)4-6-16/h3-9,11-12,18,20,23H,10H2,1-2H3.
What are the key properties of 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol?
2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol has a molecular weight of 345.44 g/mol, XLogP of 3.77, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(4-fluorophenyl)-5-methylpyrazol-4-yl]ethylamino]-1-thiophen-3-ylethanol is sourced from PubChem (CID 146127878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).