2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

C30H32F3N5O2 — CID 45240203

IUPAC2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C30H32F3N5O2/c1-19-24(20(2)38(35-19)23-7-4-3-5-8-23)18-28(39)36-14-12-22(13-15-36)37-26-11-10-21(30(31,32)33)17-25(26)34-29(37)27-9-6-16-40-27/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18H2,1-2H3
InChIKeyUKJLSDSZPKSIDO-UHFFFAOYSA-N
MW551.61 g/mol
LogP6.12
Rot. Bonds5

About 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone

2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (PubChem CID 45240203) has the molecular formula C30H32F3N5O2 and a molecular weight of 551.61 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
PubChem CID45240203
Molecular FormulaC30H32F3N5O2
Molecular Weight551.61 g/mol
Exact Mass551.25
IUPAC Name2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
SMILESCc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1
InChIInChI=1S/C30H32F3N5O2/c1-19-24(20(2)38(35-19)23-7-4-3-5-8-23)18-28(39)36-14-12-22(13-15-36)37-26-11-10-21(30(31,32)33)17-25(26)34-29(37)27-9-6-16-40-27/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18H2,1-2H3
InChIKeyUKJLSDSZPKSIDO-UHFFFAOYSA-N
XLogP6.12
TPSA65.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500551.61
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone 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

2-(4-chloro-2-methylphenoxy)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 45181810
2-(4-chloro-2-methylphenoxy)-1-[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone
CID 42170395
[4-[2-[(2R)-oxolan-2-yl]-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 42481971
[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]-(4,5,6,7-tetrahydro-1H-indazol-3-yl)methanone
CID 45166623
1-(4-aminopiperidin-1-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone;hydrochloride
CID 119376663
2-[1-[2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetyl]piperidin-4-yl]acetic acid
CID 119177850
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-(4-methoxypiperidin-1-yl)ethanone
CID 56810569
N-cyclopropyl-2-[4-[2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]acetyl]piperazin-1-yl]-2-oxoacetamide
CID 60517851
1-[4-(4-acetylphenyl)piperazin-1-yl]-2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]ethanone
CID 55702558
2-[3,5-dimethyl-1-[3-(trifluoromethyl)phenyl]pyrazol-4-yl]-1-[(3R)-3-(trifluoromethyl)piperidin-1-yl]ethanone
CID 100659071
1-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 94486758
1-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)ethanone
CID 56818581

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone (CID 45240203) is 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is Cc1nn(-c2ccccc2)c(C)c1CC(=O)N1CCC(n2c(C3CCCO3)nc3cc(C(F)(F)F)ccc32)CC1.
What is the InChIKey of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
The InChIKey is UKJLSDSZPKSIDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32F3N5O2/c1-19-24(20(2)38(35-19)23-7-4-3-5-8-23)18-28(39)36-14-12-22(13-15-36)37-26-11-10-21(30(31,32)33)17-25(26)34-29(37)27-9-6-16-40-27/h3-5,7-8,10-11,17,22,27H,6,9,12-16,18H2,1-2H3.
What are the key properties of 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone?
2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone has a molecular weight of 551.61 g/mol, XLogP of 6.12, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1-phenylpyrazol-4-yl)-1-[4-[2-(oxolan-2-yl)-5-(trifluoromethyl)benzimidazol-1-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 45240203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).