[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

C23H23F3N4O — CID 35825271

IUPAC[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H23F3N4O/c1-17-9-10-27-30(17)21-7-5-19(6-8-21)22(31)29-13-11-28(12-14-29)16-18-3-2-4-20(15-18)23(24,25)26/h2-10,15H,11-14,16H2,1H3
InChIKeyWHDBNXYJAGGQQZ-UHFFFAOYSA-N
MW428.46 g/mol
LogP4.16
Rot. Bonds4

About [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone

[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (PubChem CID 35825271) has the molecular formula C23H23F3N4O and a molecular weight of 428.46 g/mol. Its IUPAC name is [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
PubChem CID35825271
Molecular FormulaC23H23F3N4O
Molecular Weight428.46 g/mol
Exact Mass428.18
IUPAC Name[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
SMILESCc1ccnn1-c1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1
InChIInChI=1S/C23H23F3N4O/c1-17-9-10-27-30(17)21-7-5-19(6-8-21)22(31)29-13-11-28(12-14-29)16-18-3-2-4-20(15-18)23(24,25)26/h2-10,15H,11-14,16H2,1H3
InChIKeyWHDBNXYJAGGQQZ-UHFFFAOYSA-N
XLogP4.16
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.46
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone with MolForge

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Related Compounds

[4-[(3-methylphenyl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 55361222
(3,5-dimethoxyphenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 4776915
[4-(3-methoxyoxetan-3-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 164533591
(3-bromophenyl)-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329650
2,3-dihydro-1H-inden-5-yl-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 9021240
[3-[(4-bromo-3,5-dimethylpyrazol-1-yl)methyl]phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone
CID 19329594
3-[[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]methyl]benzamide
CID 86993504
2-[4-[4-(5-methylpyrazol-1-yl)benzoyl]piperazin-1-yl]-1-pyrrolidin-1-ylethanone
CID 17401105
3-[4-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazine-1-carbonyl]pyrazol-1-yl]propanoic acid
CID 19471313
2,2,2-trifluoro-1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethanone
CID 19329601
azepan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 9036784
azocan-1-yl-[4-(5-methylpyrazol-1-yl)phenyl]methanone
CID 17395851

Frequently Asked Questions

What is the IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The IUPAC name of [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone (CID 35825271) is [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is Cc1ccnn1-c1ccc(C(=O)N2CCN(Cc3cccc(C(F)(F)F)c3)CC2)cc1.
What is the InChIKey of [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
The InChIKey is WHDBNXYJAGGQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N4O/c1-17-9-10-27-30(17)21-7-5-19(6-8-21)22(31)29-13-11-28(12-14-29)16-18-3-2-4-20(15-18)23(24,25)26/h2-10,15H,11-14,16H2,1H3.
What are the key properties of [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone?
[4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone has a molecular weight of 428.46 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(5-methylpyrazol-1-yl)phenyl]-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 35825271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).