2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide

C20H19F3N4O — CID 174835230

IUPAC2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1c(N)ccc(CC(=O)Nc2ccn(Cc3cc(F)c(F)c(F)c3)n2)c1C
InChIInChI=1S/C20H19F3N4O/c1-11-12(2)17(24)4-3-14(11)9-19(28)25-18-5-6-27(26-18)10-13-7-15(21)20(23)16(22)8-13/h3-8H,9-10,24H2,1-2H3,(H,25,26,28)
InChIKeyFZPPQFMOVXKZME-UHFFFAOYSA-N
MW388.39 g/mol
LogP3.73
Rot. Bonds5

About 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide

2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide (PubChem CID 174835230) has the molecular formula C20H19F3N4O and a molecular weight of 388.39 g/mol. Its IUPAC name is 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide.

Molecular Properties

Compound Name2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
PubChem CID174835230
Molecular FormulaC20H19F3N4O
Molecular Weight388.39 g/mol
Exact Mass388.15
IUPAC Name2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide
SMILESCc1c(N)ccc(CC(=O)Nc2ccn(Cc3cc(F)c(F)c(F)c3)n2)c1C
InChIInChI=1S/C20H19F3N4O/c1-11-12(2)17(24)4-3-14(11)9-19(28)25-18-5-6-27(26-18)10-13-7-15(21)20(23)16(22)8-13/h3-8H,9-10,24H2,1-2H3,(H,25,26,28)
InChIKeyFZPPQFMOVXKZME-UHFFFAOYSA-N
XLogP3.73
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.39
LogP ≤ 53.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560409
2-[4-(3,3-difluorocyclobutyl)phenyl]-N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560709
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1-methylindazol-5-yl)acetamide
CID 126740623
Gsk-5498A
CID 46945384
5-(4-Fluorophenyl)-1-methyl-3-phenylacetylamino-4-(4-pyridyl)pyrazole
CID 69692723
2-phenyl-N-(1-phenylpyrazol-3-yl)acetamide
CID 110472142
2-[4-(dimethylamino)phenyl]-N-[1-[(4-fluorophenyl)methyl]pyrazol-3-yl]acetamide
CID 118560158
N-[1-[(4-cyano-3-fluorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560191
2-[4-(dimethylamino)phenyl]-N-[1-[(4-methylphenyl)methyl]pyrazol-3-yl]acetamide
CID 118560322
N-[1-[(4-cyanophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560356
N-[1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-2-[4-(dimethylamino)phenyl]acetamide
CID 118560401
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-(1H-indol-5-yl)acetamide
CID 118560588

Frequently Asked Questions

What is the IUPAC name of 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide?
The IUPAC name of 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide (CID 174835230) is 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide.
What is the SMILES notation for 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide?
The canonical SMILES for 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide is Cc1c(N)ccc(CC(=O)Nc2ccn(Cc3cc(F)c(F)c(F)c3)n2)c1C.
What is the InChIKey of 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide?
The InChIKey is FZPPQFMOVXKZME-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O/c1-11-12(2)17(24)4-3-14(11)9-19(28)25-18-5-6-27(26-18)10-13-7-15(21)20(23)16(22)8-13/h3-8H,9-10,24H2,1-2H3,(H,25,26,28).
What are the key properties of 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide?
2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide has a molecular weight of 388.39 g/mol, XLogP of 3.73, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-amino-2,3-dimethylphenyl)-N-[1-[(3,4,5-trifluorophenyl)methyl]pyrazol-3-yl]acetamide is sourced from PubChem (CID 174835230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).