[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

C27H24F3N5O — CID 50745756

IUPAC[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H24F3N5O/c1-19-10-12-22(13-11-19)35-25(20-6-3-2-4-7-20)31-24(32-35)26(36)34-16-14-33(15-17-34)23-9-5-8-21(18-23)27(28,29)30/h2-13,18H,14-17H2,1H3
InChIKeySNSYPMPNFNVNOK-UHFFFAOYSA-N
MW491.52 g/mol
LogP5.22
Rot. Bonds4

About [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone

[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (PubChem CID 50745756) has the molecular formula C27H24F3N5O and a molecular weight of 491.52 g/mol. Its IUPAC name is [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
PubChem CID50745756
Molecular FormulaC27H24F3N5O
Molecular Weight491.52 g/mol
Exact Mass491.19
IUPAC Name[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
SMILESCc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2-c2ccccc2)cc1
InChIInChI=1S/C27H24F3N5O/c1-19-10-12-22(13-11-19)35-25(20-6-3-2-4-7-20)31-24(32-35)26(36)34-16-14-33(15-17-34)23-9-5-8-21(18-23)27(28,29)30/h2-13,18H,14-17H2,1H3
InChIKeySNSYPMPNFNVNOK-UHFFFAOYSA-N
XLogP5.22
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.52
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-dimethyl-2-[4-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazole-3-carbonyl]piperazin-1-yl]acetamide
CID 43020034
[1-(4-methylphenyl)-5,6-dihydro-4H-cyclopenta[d]pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 36995955
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(3-hydroxyphenyl)piperazin-1-yl]methanone
CID 112799070
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-pyrrolidin-1-ylmethanone
CID 17052372
3-azabicyclo[3.1.0]hexan-3-yl-[5-phenyl-1-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]methanone
CID 166246807
[1-(3-methylphenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3632123
[1-(4-fluorophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 3341823
(2-methyl-4-phenyl-1,3-oxazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 71511489
(1,5-diphenyl-1,2,4-triazol-3-yl)-[4-(4-methoxyphenyl)-1,4-diazepan-1-yl]methanone
CID 55918131
[5-methyl-2-(3-methylphenyl)pyrazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 10410315
(3-methyl-1-phenylthieno[3,2-d]pyrazol-5-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 2008259
[1-(4-nitrophenyl)-3-phenylpyrazol-5-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 4240570

Frequently Asked Questions

What is the IUPAC name of [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The IUPAC name of [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone (CID 50745756) is [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone.
What is the SMILES notation for [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The canonical SMILES for [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is Cc1ccc(-n2nc(C(=O)N3CCN(c4cccc(C(F)(F)F)c4)CC3)nc2-c2ccccc2)cc1.
What is the InChIKey of [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
The InChIKey is SNSYPMPNFNVNOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24F3N5O/c1-19-10-12-22(13-11-19)35-25(20-6-3-2-4-7-20)31-24(32-35)26(36)34-16-14-33(15-17-34)23-9-5-8-21(18-23)27(28,29)30/h2-13,18H,14-17H2,1H3.
What are the key properties of [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone?
[1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone has a molecular weight of 491.52 g/mol, XLogP of 5.22, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(4-methylphenyl)-5-phenyl-1,2,4-triazol-3-yl]-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone is sourced from PubChem (CID 50745756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).