3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

C28H24F3N5O2 — CID 155526433

IUPAC3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CC(C)O)c3)n[nH]c2c1
InChIInChI=1S/C28H24F3N5O2/c1-16-6-7-19(27(38)33-22-5-3-4-21(12-22)28(29,30)31)10-24(16)18-8-9-23-25(11-18)34-35-26(23)20-13-32-36(15-20)14-17(2)37/h3-13,15,17,37H,14H2,1-2H3,(H,33,38)(H,34,35)
InChIKeyBQRHOTLMFJNXLF-UHFFFAOYSA-N
MW519.53 g/mol
LogP6.05
Rot. Bonds6

About 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide

3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 155526433) has the molecular formula C28H24F3N5O2 and a molecular weight of 519.53 g/mol. Its IUPAC name is 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID155526433
Molecular FormulaC28H24F3N5O2
Molecular Weight519.53 g/mol
Exact Mass519.19
IUPAC Name3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CC(C)O)c3)n[nH]c2c1
InChIInChI=1S/C28H24F3N5O2/c1-16-6-7-19(27(38)33-22-5-3-4-21(12-22)28(29,30)31)10-24(16)18-8-9-23-25(11-18)34-35-26(23)20-13-32-36(15-20)14-17(2)37/h3-13,15,17,37H,14H2,1-2H3,(H,33,38)(H,34,35)
InChIKeyBQRHOTLMFJNXLF-UHFFFAOYSA-N
XLogP6.05
TPSA95.83 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms38
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500519.53
LogP ≤ 56.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide 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 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide (CID 155526433) is 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1-c1ccc2c(-c3cnn(CC(C)O)c3)n[nH]c2c1.
What is the InChIKey of 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is BQRHOTLMFJNXLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24F3N5O2/c1-16-6-7-19(27(38)33-22-5-3-4-21(12-22)28(29,30)31)10-24(16)18-8-9-23-25(11-18)34-35-26(23)20-13-32-36(15-20)14-17(2)37/h3-13,15,17,37H,14H2,1-2H3,(H,33,38)(H,34,35).
What are the key properties of 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide?
3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 519.53 g/mol, XLogP of 6.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[1-(2-hydroxypropyl)pyrazol-4-yl]-1H-indazol-6-yl]-4-methyl-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 155526433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).