2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

C25H20F9N3O — CID 21082175

IUPAC2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C25H20F9N3O/c1-3-37-19(12-20(35-37)15-4-6-17(7-5-15)23(26,27)28)13-36-14(2)10-16-11-18(8-9-21(16)36)22(38,24(29,30)31)25(32,33)34/h4-12,38H,3,13H2,1-2H3
InChIKeyUANYTTHYWMIOSW-UHFFFAOYSA-N
MW549.44 g/mol
LogP7.21
Rot. Bonds5

About 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol

2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (PubChem CID 21082175) has the molecular formula C25H20F9N3O and a molecular weight of 549.44 g/mol. Its IUPAC name is 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.

Molecular Properties

Compound Name2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
PubChem CID21082175
Molecular FormulaC25H20F9N3O
Molecular Weight549.44 g/mol
Exact Mass549.15
IUPAC Name2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol
SMILESCCn1nc(-c2ccc(C(F)(F)F)cc2)cc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21
InChIInChI=1S/C25H20F9N3O/c1-3-37-19(12-20(35-37)15-4-6-17(7-5-15)23(26,27)28)13-36-14(2)10-16-11-18(8-9-21(16)36)22(38,24(29,30)31)25(32,33)34/h4-12,38H,3,13H2,1-2H3
InChIKeyUANYTTHYWMIOSW-UHFFFAOYSA-N
XLogP7.21
TPSA42.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500549.44
LogP ≤ 57.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-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-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The IUPAC name of 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol (CID 21082175) is 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol.
What is the SMILES notation for 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The canonical SMILES for 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is CCn1nc(-c2ccc(C(F)(F)F)cc2)cc1Cn1c(C)cc2cc(C(O)(C(F)(F)F)C(F)(F)F)ccc21.
What is the InChIKey of 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
The InChIKey is UANYTTHYWMIOSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F9N3O/c1-3-37-19(12-20(35-37)15-4-6-17(7-5-15)23(26,27)28)13-36-14(2)10-16-11-18(8-9-21(16)36)22(38,24(29,30)31)25(32,33)34/h4-12,38H,3,13H2,1-2H3.
What are the key properties of 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol?
2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol has a molecular weight of 549.44 g/mol, XLogP of 7.21, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[1-ethyl-3-[4-(trifluoromethyl)phenyl]pyrazol-5-yl]methyl]-2-methylindol-5-yl]-1,1,1,3,3,3-hexafluoropropan-2-ol is sourced from PubChem (CID 21082175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).