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

C16H14F3N3OS — CID 122434864

IUPAC1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
SMILESCc1ccc(C(O)Cc2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C16H14F3N3OS/c1-9-2-3-14(24-9)13(23)7-10-4-5-20-11(6-10)12-8-15(22-21-12)16(17,18)19/h2-6,8,13,23H,7H2,1H3,(H,21,22)
InChIKeyWODDIGORQGEEKD-UHFFFAOYSA-N
MW353.37 g/mol
LogP4.14
Rot. Bonds4

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

1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol (PubChem CID 122434864) has the molecular formula C16H14F3N3OS and a molecular weight of 353.37 g/mol. Its IUPAC name is 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol.

Molecular Properties

Compound Name1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
PubChem CID122434864
Molecular FormulaC16H14F3N3OS
Molecular Weight353.37 g/mol
Exact Mass353.08
IUPAC Name1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol
SMILESCc1ccc(C(O)Cc2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1
InChIInChI=1S/C16H14F3N3OS/c1-9-2-3-14(24-9)13(23)7-10-4-5-20-11(6-10)12-8-15(22-21-12)16(17,18)19/h2-6,8,13,23H,7H2,1H3,(H,21,22)
InChIKeyWODDIGORQGEEKD-UHFFFAOYSA-N
XLogP4.14
TPSA61.80 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.37
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
The IUPAC name of 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol (CID 122434864) is 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol.
What is the SMILES notation for 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
The canonical SMILES for 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol is Cc1ccc(C(O)Cc2ccnc(-c3cc(C(F)(F)F)[nH]n3)c2)s1.
What is the InChIKey of 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
The InChIKey is WODDIGORQGEEKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F3N3OS/c1-9-2-3-14(24-9)13(23)7-10-4-5-20-11(6-10)12-8-15(22-21-12)16(17,18)19/h2-6,8,13,23H,7H2,1H3,(H,21,22).
What are the key properties of 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol?
1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol has a molecular weight of 353.37 g/mol, XLogP of 4.14, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methylthiophen-2-yl)-2-[2-[5-(trifluoromethyl)-1H-pyrazol-3-yl]-4-pyridinyl]ethanol is sourced from PubChem (CID 122434864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).