N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide

C25H22FN3O — CID 9140809

IUPACN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C25H22FN3O/c1-28(24(30)16-19-9-8-12-22(26)15-19)17-21-18-29(23-13-6-3-7-14-23)27-25(21)20-10-4-2-5-11-20/h2-15,18H,16-17H2,1H3
InChIKeyNGLJTALOWOHVPX-UHFFFAOYSA-N
MW399.47 g/mol
LogP4.88
Rot. Bonds6

About N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide

N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide (PubChem CID 9140809) has the molecular formula C25H22FN3O and a molecular weight of 399.47 g/mol. Its IUPAC name is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
PubChem CID9140809
Molecular FormulaC25H22FN3O
Molecular Weight399.47 g/mol
Exact Mass399.17
IUPAC NameN-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide
SMILESCN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1cccc(F)c1
InChIInChI=1S/C25H22FN3O/c1-28(24(30)16-19-9-8-12-22(26)15-19)17-21-18-29(23-13-6-3-7-14-23)27-25(21)20-10-4-2-5-11-20/h2-15,18H,16-17H2,1H3
InChIKeyNGLJTALOWOHVPX-UHFFFAOYSA-N
XLogP4.88
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.47
LogP ≤ 54.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,4-dimethylpentanamide
CID 46523369
2-(4-acetamidophenyl)-N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-N-methylacetamide
CID 17439972
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N,6-dimethylpyridine-2-carboxamide
CID 32771148
N'-[(1,3-diphenylpyrazol-4-yl)methyl]-N'-methyl-N-propylbutanediamide
CID 56538169
N-[[3-(4-chlorophenyl)-1-phenylpyrazol-4-yl]methyl]-4-fluoro-N-methylbenzamide
CID 18209870
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(2-methoxyethylamino)-N-methylacetamide;hydrochloride
CID 119689500
2-(2,4-dioxoquinazolin-1-yl)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 29469726
methyl 5-[(1,3-diphenylpyrazol-4-yl)methyl-methylcarbamoyl]thiophene-2-carboxylate
CID 35187589
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-1,3-benzodioxole-5-carboxamide
CID 9140790
2-(2-cyanophenoxy)-N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methylacetamide
CID 39763812
2-[(1,3-diphenylpyrazol-4-yl)methyl-propylamino]-N,N-dimethylacetamide
CID 55912722
N-[(1,3-diphenylpyrazol-4-yl)methyl]-N-methyl-2-oxo-1H-pyridine-3-carboxamide
CID 31333953

Frequently Asked Questions

What is the IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide?
The IUPAC name of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide (CID 9140809) is N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide.
What is the SMILES notation for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide?
The canonical SMILES for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide is CN(Cc1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)Cc1cccc(F)c1.
What is the InChIKey of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide?
The InChIKey is NGLJTALOWOHVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22FN3O/c1-28(24(30)16-19-9-8-12-22(26)15-19)17-21-18-29(23-13-6-3-7-14-23)27-25(21)20-10-4-2-5-11-20/h2-15,18H,16-17H2,1H3.
What are the key properties of N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide?
N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide has a molecular weight of 399.47 g/mol, XLogP of 4.88, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1,3-diphenylpyrazol-4-yl)methyl]-2-(3-fluorophenyl)-N-methylacetamide is sourced from PubChem (CID 9140809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).