2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

C18H22F3N5O — CID 90507381

IUPAC2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3N5O/c1-12-17(13(2)24-23-12)26-9-7-25(8-10-26)11-16(27)22-15-5-3-14(4-6-15)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyJNONNDUSZSLPIH-UHFFFAOYSA-N
MW381.40 g/mol
LogP2.81
Rot. Bonds4

About 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide

2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (PubChem CID 90507381) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
PubChem CID90507381
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
SMILESCc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1
InChIInChI=1S/C18H22F3N5O/c1-12-17(13(2)24-23-12)26-9-7-25(8-10-26)11-16(27)22-15-5-3-14(4-6-15)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,27)(H,23,24)
InChIKeyJNONNDUSZSLPIH-UHFFFAOYSA-N
XLogP2.81
TPSA64.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507419
N-(3,4-dichlorophenyl)-2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]acetamide
CID 90507366
2-[4-(3,5-dimethyl-1-phenylpyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 90507543
2-[4-(4-fluorophenyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 4081738
2-(4-phenylpiperazin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide
CID 1051921
N-(4-methylphenyl)-2-[4-[5-(trifluoromethyl)-2-pyridinyl]piperazin-1-yl]acetamide
CID 29107496
ethyl 4-[2-oxo-2-[4-(trifluoromethyl)anilino]ethyl]piperazine-1-carboxylate
CID 8932175
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-ethylacetamide
CID 90507422
2-[4-(1-methyl-6-oxopyridazin-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171998509
2-[4-(pyridin-4-ylmethyl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 171701512
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-(2-ethoxyphenyl)acetamide
CID 90507372
2-(4-aminopiperidin-1-yl)-N-[4-(trifluoromethyl)phenyl]acetamide;hydrochloride
CID 119907372

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide (CID 90507381) is 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is Cc1n[nH]c(C)c1N1CCN(CC(=O)Nc2ccc(C(F)(F)F)cc2)CC1.
What is the InChIKey of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
The InChIKey is JNONNDUSZSLPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-12-17(13(2)24-23-12)26-9-7-25(8-10-26)11-16(27)22-15-5-3-14(4-6-15)18(19,20)21/h3-6H,7-11H2,1-2H3,(H,22,27)(H,23,24).
What are the key properties of 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide?
2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide has a molecular weight of 381.40 g/mol, XLogP of 2.81, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,5-dimethyl-1H-pyrazol-4-yl)piperazin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 90507381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).