3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

C18H15F2N3O — CID 8950370

IUPAC3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N3O/c1-22(18(24)14-7-8-16(19)17(20)9-14)11-13-10-21-23(12-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyBQLIIXVAPGGOJW-UHFFFAOYSA-N
MW327.33 g/mol
LogP3.42
Rot. Bonds4

About 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide

3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 8950370) has the molecular formula C18H15F2N3O and a molecular weight of 327.33 g/mol. Its IUPAC name is 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID8950370
Molecular FormulaC18H15F2N3O
Molecular Weight327.33 g/mol
Exact Mass327.12
IUPAC Name3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C18H15F2N3O/c1-22(18(24)14-7-8-16(19)17(20)9-14)11-13-10-21-23(12-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3
InChIKeyBQLIIXVAPGGOJW-UHFFFAOYSA-N
XLogP3.42
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.33
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
4-fluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-piperidin-1-ylsulfonylbenzamide
CID 17497833
4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961933
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882
6-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]pyridine-3-carboxamide
CID 17458039
2-hydroxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24551539
N,5-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]thiophene-2-carboxamide
CID 17449715
N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46512897
N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961836
4-chloro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 24504608

Frequently Asked Questions

What is the IUPAC name of 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 8950370) is 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is CN(Cc1cnn(-c2ccccc2)c1)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is BQLIIXVAPGGOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F2N3O/c1-22(18(24)14-7-8-16(19)17(20)9-14)11-13-10-21-23(12-13)15-5-3-2-4-6-15/h2-10,12H,11H2,1H3.
What are the key properties of 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 327.33 g/mol, XLogP of 3.42, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 8950370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).