2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

C23H22F3N5O2 — CID 24547588

IUPAC2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3N5O2/c24-23(25,26)19-8-4-5-9-20(19)28-21(32)16-29-10-12-30(13-11-29)22(33)17-14-27-31(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H,28,32)
InChIKeyDIYAKKRABLTDMQ-UHFFFAOYSA-N
MW457.46 g/mol
LogP3.29
Rot. Bonds5

About 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide

2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 24547588) has the molecular formula C23H22F3N5O2 and a molecular weight of 457.46 g/mol. Its IUPAC name is 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID24547588
Molecular FormulaC23H22F3N5O2
Molecular Weight457.46 g/mol
Exact Mass457.17
IUPAC Name2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C23H22F3N5O2/c24-23(25,26)19-8-4-5-9-20(19)28-21(32)16-29-10-12-30(13-11-29)22(33)17-14-27-31(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H,28,32)
InChIKeyDIYAKKRABLTDMQ-UHFFFAOYSA-N
XLogP3.29
TPSA70.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.46
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[4-(3,4-difluorobenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 30501843
2-[4-[3-(trifluoromethyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 27849419
2-[4-(3,4-dimethylbenzoyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 9429563
2-[4-(3-methylbenzoyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 37106094
2-(4-benzoylpiperazin-1-yl)-N-[4-chloro-2-(trifluoromethyl)phenyl]acetamide
CID 31375697
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
2-[4-(5-bromothiophene-2-carbonyl)-1,4-diazepan-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 74227809
6-oxo-1-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]pyridine-3-carboxylic acid
CID 71700189
2-[4-(5-chlorofuran-2-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 32753939
2-[4-(4-oxo-3H-phthalazine-1-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55364607
2-[4-[6-(3,5-dimethylpyrazol-1-yl)pyridine-3-carbonyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 39933420
2-[4-[2-(difluoromethylsulfanyl)benzoyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 24641990

Frequently Asked Questions

What is the IUPAC name of 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide (CID 24547588) is 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(CN1CCN(C(=O)c2cnn(-c3ccccc3)c2)CC1)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DIYAKKRABLTDMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22F3N5O2/c24-23(25,26)19-8-4-5-9-20(19)28-21(32)16-29-10-12-30(13-11-29)22(33)17-14-27-31(15-17)18-6-2-1-3-7-18/h1-9,14-15H,10-13,16H2,(H,28,32).
What are the key properties of 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide?
2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 457.46 g/mol, XLogP of 3.29, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1-phenylpyrazole-4-carbonyl)piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 24547588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).