4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide

C25H24F3N5O3 — CID 59559602

IUPAC4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
SMILESCn1cc(-c2ccc(C(=O)NCC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cn1
InChIInChI=1S/C25H24F3N5O3/c1-31-16-19(14-30-31)17-6-8-18(9-7-17)23(35)29-15-22(34)32-10-12-33(13-11-32)24(36)20-4-2-3-5-21(20)25(26,27)28/h2-9,14,16H,10-13,15H2,1H3,(H,29,35)
InChIKeyXVROEPXDHAYMBO-UHFFFAOYSA-N
MW499.49 g/mol
LogP2.82
Rot. Bonds5

About 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide

4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide (PubChem CID 59559602) has the molecular formula C25H24F3N5O3 and a molecular weight of 499.49 g/mol. Its IUPAC name is 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
PubChem CID59559602
Molecular FormulaC25H24F3N5O3
Molecular Weight499.49 g/mol
Exact Mass499.18
IUPAC Name4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
SMILESCn1cc(-c2ccc(C(=O)NCC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cn1
InChIInChI=1S/C25H24F3N5O3/c1-31-16-19(14-30-31)17-6-8-18(9-7-17)23(35)29-15-22(34)32-10-12-33(13-11-32)24(36)20-4-2-3-5-21(20)25(26,27)28/h2-9,14,16H,10-13,15H2,1H3,(H,29,35)
InChIKeyXVROEPXDHAYMBO-UHFFFAOYSA-N
XLogP2.82
TPSA87.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.49
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(3-nitrophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 59559663
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-phenylpyridine-2-carboxamide
CID 25164925
4-(2,5-difluorophenyl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25166706
6-anilino-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]pyridine-3-carboxamide
CID 59559675
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]acetamide
CID 154499668
3-hydroxy-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide
CID 25165128
N-[2-[4-(2-chloropyridine-3-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-phenylbenzamide
CID 59559610
N-[2,2-difluoro-2-[2-fluoro-4-(1-methylpyrazol-4-yl)phenyl]ethyl]-2-(trifluoromethyl)benzamide
CID 126578727
N-[2-(4-benzoylpiperazin-1-yl)-2-oxoethyl]-4-phenylbenzamide
CID 25166103
N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]-5-[3-(trifluoromethyl)phenyl]furan-2-carboxamide
CID 25167327
5-nitro-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]furan-2-carboxamide
CID 25164721
2-amino-1-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethanone;hydrochloride
CID 66953178

Frequently Asked Questions

What is the IUPAC name of 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The IUPAC name of 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide (CID 59559602) is 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide.
What is the SMILES notation for 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The canonical SMILES for 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide is Cn1cc(-c2ccc(C(=O)NCC(=O)N3CCN(C(=O)c4ccccc4C(F)(F)F)CC3)cc2)cn1.
What is the InChIKey of 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
The InChIKey is XVROEPXDHAYMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24F3N5O3/c1-31-16-19(14-30-31)17-6-8-18(9-7-17)23(35)29-15-22(34)32-10-12-33(13-11-32)24(36)20-4-2-3-5-21(20)25(26,27)28/h2-9,14,16H,10-13,15H2,1H3,(H,29,35).
What are the key properties of 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide?
4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide has a molecular weight of 499.49 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-methylpyrazol-4-yl)-N-[2-oxo-2-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]ethyl]benzamide is sourced from PubChem (CID 59559602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).