2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol

C23H17F6N3OS — CID 59633003

IUPAC2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ncccc3C(F)(F)F)s2)cc1
InChIInChI=1S/C23H17F6N3OS/c1-21(2,33)14-7-5-13(6-8-14)17-9-10-18(34-17)16-12-19(23(27,28)29)31-32(16)20-15(22(24,25)26)4-3-11-30-20/h3-12,33H,1-2H3
InChIKeyKNFCOAQMQXEZHT-UHFFFAOYSA-N
MW497.46 g/mol
LogP6.93
Rot. Bonds4

About 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol

2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol (PubChem CID 59633003) has the molecular formula C23H17F6N3OS and a molecular weight of 497.46 g/mol. Its IUPAC name is 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol
PubChem CID59633003
Molecular FormulaC23H17F6N3OS
Molecular Weight497.46 g/mol
Exact Mass497.10
IUPAC Name2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ncccc3C(F)(F)F)s2)cc1
InChIInChI=1S/C23H17F6N3OS/c1-21(2,33)14-7-5-13(6-8-14)17-9-10-18(34-17)16-12-19(23(27,28)29)31-32(16)20-15(22(24,25)26)4-3-11-30-20/h3-12,33H,1-2H3
InChIKeyKNFCOAQMQXEZHT-UHFFFAOYSA-N
XLogP6.93
TPSA50.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.46
LogP ≤ 56.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol 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-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol (CID 59633003) is 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol is CC(C)(O)c1ccc(-c2ccc(-c3cc(C(F)(F)F)nn3-c3ncccc3C(F)(F)F)s2)cc1.
What is the InChIKey of 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol?
The InChIKey is KNFCOAQMQXEZHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17F6N3OS/c1-21(2,33)14-7-5-13(6-8-14)17-9-10-18(34-17)16-12-19(23(27,28)29)31-32(16)20-15(22(24,25)26)4-3-11-30-20/h3-12,33H,1-2H3.
What are the key properties of 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol?
2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol has a molecular weight of 497.46 g/mol, XLogP of 6.93, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-[3-(trifluoromethyl)-1-[3-(trifluoromethyl)-2-pyridinyl]pyrazol-5-yl]thiophen-2-yl]phenyl]propan-2-ol is sourced from PubChem (CID 59633003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).