N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

C21H20F3N3O2 — CID 46512897

IUPACN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-26(12-17-11-25-27(13-17)19-5-3-2-4-6-19)20(28)18-9-7-16(8-10-18)14-29-15-21(22,23)24/h2-11,13H,12,14-15H2,1H3
InChIKeyFFJKMNIGBZVWMN-UHFFFAOYSA-N
MW403.40 g/mol
LogP4.22
Rot. Bonds7

About N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide

N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (PubChem CID 46512897) has the molecular formula C21H20F3N3O2 and a molecular weight of 403.40 g/mol. Its IUPAC name is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.

Molecular Properties

Compound NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
PubChem CID46512897
Molecular FormulaC21H20F3N3O2
Molecular Weight403.40 g/mol
Exact Mass403.15
IUPAC NameN-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(COCC(F)(F)F)cc1
InChIInChI=1S/C21H20F3N3O2/c1-26(12-17-11-25-27(13-17)19-5-3-2-4-6-19)20(28)18-9-7-16(8-10-18)14-29-15-21(22,23)24/h2-11,13H,12,14-15H2,1H3
InChIKeyFFJKMNIGBZVWMN-UHFFFAOYSA-N
XLogP4.22
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.40
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
ethyl 1-[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 55650195
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
6-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 17458039
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N-[[4-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55760063
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-2-[4-(trifluoromethyl)phenoxy]acetamide
CID 55467557
N-methyl-2-[methyl-[(1-phenylpyrazol-4-yl)methyl]amino]-N-(2,2,2-trifluoroethyl)acetamide
CID 87014713

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The IUPAC name of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide (CID 46512897) is N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide.
What is the SMILES notation for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The canonical SMILES for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(COCC(F)(F)F)cc1.
What is the InChIKey of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
The InChIKey is FFJKMNIGBZVWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N3O2/c1-26(12-17-11-25-27(13-17)19-5-3-2-4-6-19)20(28)18-9-7-16(8-10-18)14-29-15-21(22,23)24/h2-11,13H,12,14-15H2,1H3.
What are the key properties of N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide?
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide has a molecular weight of 403.40 g/mol, XLogP of 4.22, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide is sourced from PubChem (CID 46512897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).