1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol

C15H12F3N3OS — CID 90321079

IUPAC1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
SMILESOC(Cc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1)c1cccs1
InChIInChI=1S/C15H12F3N3OS/c16-15(17,18)14-8-11(20-21-14)10-6-9(3-4-19-10)7-12(22)13-2-1-5-23-13/h1-6,8,12,22H,7H2,(H,20,21)
InChIKeyLZWKIDCSLZXUJY-UHFFFAOYSA-N
MW339.34 g/mol
LogP3.83
Rot. Bonds4

About 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol

1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol (PubChem CID 90321079) has the molecular formula C15H12F3N3OS and a molecular weight of 339.34 g/mol. Its IUPAC name is 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
PubChem CID90321079
Molecular FormulaC15H12F3N3OS
Molecular Weight339.34 g/mol
Exact Mass339.07
IUPAC Name1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
SMILESOC(Cc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1)c1cccs1
InChIInChI=1S/C15H12F3N3OS/c16-15(17,18)14-8-11(20-21-14)10-6-9(3-4-19-10)7-12(22)13-2-1-5-23-13/h1-6,8,12,22H,7H2,(H,20,21)
InChIKeyLZWKIDCSLZXUJY-UHFFFAOYSA-N
XLogP3.83
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.34
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol 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 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
The IUPAC name of 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol (CID 90321079) is 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol.
What is the SMILES notation for 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
The canonical SMILES for 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol is OC(Cc1ccnc(-c2cc(C(F)(F)F)[nH]n2)c1)c1cccs1.
What is the InChIKey of 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
The InChIKey is LZWKIDCSLZXUJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12F3N3OS/c16-15(17,18)14-8-11(20-21-14)10-6-9(3-4-19-10)7-12(22)13-2-1-5-23-13/h1-6,8,12,22H,7H2,(H,20,21).
What are the key properties of 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol has a molecular weight of 339.34 g/mol, XLogP of 3.83, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-thiophen-2-yl-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol is sourced from PubChem (CID 90321079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).