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

C13H14FN3O — CID 60715430

IUPAC2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14/h3-7,9H,8H2,1-2H3
InChIKeyXKPTWCLZPPOTCH-UHFFFAOYSA-N
MW247.27 g/mol
LogP1.83
Rot. Bonds3

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

2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 60715430) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID60715430
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(C)c1)C(=O)c1ccccc1F
InChIInChI=1S/C13H14FN3O/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14/h3-7,9H,8H2,1-2H3
InChIKeyXKPTWCLZPPOTCH-UHFFFAOYSA-N
XLogP1.83
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-amino-2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 61114879
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-2-oxopyridine-3-carboxamide
CID 146086977
2-anilino-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31848474
2-amino-4-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 63110187
1-methyl-1-[(1-methylpyrazol-4-yl)methyl]urea
CID 60703151
N,1-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-5-pyrrol-1-ylpyrazole-4-carboxamide
CID 31852382
1-(4-fluorophenyl)-N,2,5-trimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrrole-3-carboxamide
CID 31843746
5-bromo-2-iodo-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 31844680
3-(2-chloro-6-fluorophenyl)-N,5-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]-1,2-oxazole-4-carboxamide
CID 31848455
2-fluoro-N-methyl-N-(quinolin-3-ylmethyl)benzamide
CID 110733867
1-ethyl-N,3-dimethyl-N-[(1-methylpyrazol-4-yl)methyl]pyrazole-4-carboxamide
CID 19477840
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-phenyl-1,3-thiazole-5-carboxamide
CID 86991146

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 60715430) is 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(C)c1)C(=O)c1ccccc1F.
What is the InChIKey of 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is XKPTWCLZPPOTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-16(8-10-7-15-17(2)9-10)13(18)11-5-3-4-6-12(11)14/h3-7,9H,8H2,1-2H3.
What are the key properties of 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 247.27 g/mol, XLogP of 1.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 60715430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).