2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide

C16H20FN3O — CID 86779207

IUPAC2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1cnn(C)c1)C(=O)c1cccc(C)c1F
InChIInChI=1S/C16H20FN3O/c1-4-8-20(11-13-9-18-19(3)10-13)16(21)14-7-5-6-12(2)15(14)17/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeyFEMNKGXTRNMPBJ-UHFFFAOYSA-N
MW289.35 g/mol
LogP2.92
Rot. Bonds5

About 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide

2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide (PubChem CID 86779207) has the molecular formula C16H20FN3O and a molecular weight of 289.35 g/mol. Its IUPAC name is 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide.

Molecular Properties

Compound Name2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide
PubChem CID86779207
Molecular FormulaC16H20FN3O
Molecular Weight289.35 g/mol
Exact Mass289.16
IUPAC Name2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide
SMILESCCCN(Cc1cnn(C)c1)C(=O)c1cccc(C)c1F
InChIInChI=1S/C16H20FN3O/c1-4-8-20(11-13-9-18-19(3)10-13)16(21)14-7-5-6-12(2)15(14)17/h5-7,9-10H,4,8,11H2,1-3H3
InChIKeyFEMNKGXTRNMPBJ-UHFFFAOYSA-N
XLogP2.92
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.35
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(3-aminophenyl)methyl]-1-methyl-N-propylpyrazole-4-carboxamide
CID 43459645
2-fluoro-3-methyl-N-propyl-N-prop-2-ynylbenzamide
CID 80717799
N,N-diethyl-2-fluoro-3-methylbenzamide
CID 80718588
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 60715430
(2-fluoro-3-methylphenyl)-(1-methylpyrazol-4-yl)methanone
CID 114963984
N-(2-fluoro-3-methylphenyl)-N-[(1-methylpyrazol-4-yl)methyl]prop-2-enamide
CID 166419917
(1S)-N-[(1-methylpyrazol-4-yl)methyl]-N-propyl-3,4-dihydro-1H-isothiochromene-1-carboxamide
CID 96562614
N-(2-methoxyethyl)-2-(2-methylprop-2-enoxy)-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 46986736
3-amino-N-ethyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 119863755
N-(2-methoxyethyl)-N-[(1-methylpyrazol-4-yl)methyl]-2-(2H-tetrazol-5-yl)benzamide
CID 74241488
N-butyl-2-fluoro-3-methyl-N-(2,2,2-trifluoroethyl)benzamide
CID 80719091
N-ethyl-2-hydroxy-N-[(1-methylpyrazol-4-yl)methyl]-2-phenylacetamide
CID 111537345

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide?
The IUPAC name of 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide (CID 86779207) is 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide.
What is the SMILES notation for 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide?
The canonical SMILES for 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide is CCCN(Cc1cnn(C)c1)C(=O)c1cccc(C)c1F.
What is the InChIKey of 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide?
The InChIKey is FEMNKGXTRNMPBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN3O/c1-4-8-20(11-13-9-18-19(3)10-13)16(21)14-7-5-6-12(2)15(14)17/h5-7,9-10H,4,8,11H2,1-3H3.
What are the key properties of 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide?
2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide has a molecular weight of 289.35 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]-N-propylbenzamide is sourced from PubChem (CID 86779207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).