N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

C21H20F4N4O — CID 24664958

IUPACN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20F4N4O/c1-14-11-19(29(27-14)17-9-7-16(22)8-10-17)26-20(30)13-28(2)12-15-5-3-4-6-18(15)21(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,30)
InChIKeyNHWYNTGTNUYBRN-UHFFFAOYSA-N
MW420.41 g/mol
LogP4.41
Rot. Bonds6

About N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide

N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (PubChem CID 24664958) has the molecular formula C21H20F4N4O and a molecular weight of 420.41 g/mol. Its IUPAC name is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
PubChem CID24664958
Molecular FormulaC21H20F4N4O
Molecular Weight420.41 g/mol
Exact Mass420.16
IUPAC NameN-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide
SMILESCc1cc(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(-c2ccc(F)cc2)n1
InChIInChI=1S/C21H20F4N4O/c1-14-11-19(29(27-14)17-9-7-16(22)8-10-17)26-20(30)13-28(2)12-15-5-3-4-6-18(15)21(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,30)
InChIKeyNHWYNTGTNUYBRN-UHFFFAOYSA-N
XLogP4.41
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.41
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[ethyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 55411337
2-[methyl-[(2-methylphenyl)methyl]amino]-N-[5-methyl-2-(2-methylphenyl)pyrazol-3-yl]acetamide
CID 17496916
N-(2-ethylphenyl)-2-[methyl-[2-[[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]amino]-2-oxoethyl]amino]acetamide
CID 8789331
2-[methyl-[2-[(5-methyl-2-phenylpyrazol-3-yl)amino]-2-oxoethyl]amino]acetamide
CID 56814566
2-[(6-methoxynaphthalen-2-yl)methyl-methylamino]-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 9406717
2-[(4-fluorophenyl)sulfonyl-methylamino]-N-[5-methyl-2-[3-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide
CID 55503346
2-[(4-ethoxyphenyl)methyl-methylamino]-N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]acetamide
CID 8695024
2-(methylamino)-N-[5-methyl-2-[2-(trifluoromethyl)phenyl]pyrazol-3-yl]acetamide;hydrochloride
CID 119680082
N-[5-methyl-2-(4-methylphenyl)pyrazol-3-yl]-2-(trifluoromethyl)benzamide
CID 75524900
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-2-phenylpyrazol-3-yl)acetamide
CID 7228912
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-(1-methylindol-3-yl)acetamide
CID 47082932
2-(benzotriazol-1-yl)-N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]acetamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The IUPAC name of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide (CID 24664958) is N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide.
What is the SMILES notation for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The canonical SMILES for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is Cc1cc(NC(=O)CN(C)Cc2ccccc2C(F)(F)F)n(-c2ccc(F)cc2)n1.
What is the InChIKey of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
The InChIKey is NHWYNTGTNUYBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F4N4O/c1-14-11-19(29(27-14)17-9-7-16(22)8-10-17)26-20(30)13-28(2)12-15-5-3-4-6-18(15)21(23,24)25/h3-11H,12-13H2,1-2H3,(H,26,30).
What are the key properties of N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide?
N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide has a molecular weight of 420.41 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-fluorophenyl)-5-methylpyrazol-3-yl]-2-[methyl-[[2-(trifluoromethyl)phenyl]methyl]amino]acetamide is sourced from PubChem (CID 24664958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).