2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

C16H19F2N3O2 — CID 50967102

IUPAC2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H19F2N3O2/c1-11-4-5-13(17)14(15(11)18)16(22)21(6-7-23-3)10-12-8-19-20(2)9-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVLNVUOSLFCZGRA-UHFFFAOYSA-N
MW323.34 g/mol
LogP2.30
Rot. Bonds6

About 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide

2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (PubChem CID 50967102) has the molecular formula C16H19F2N3O2 and a molecular weight of 323.34 g/mol. Its IUPAC name is 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
PubChem CID50967102
Molecular FormulaC16H19F2N3O2
Molecular Weight323.34 g/mol
Exact Mass323.14
IUPAC Name2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
SMILESCOCCN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(C)c1F
InChIInChI=1S/C16H19F2N3O2/c1-11-4-5-13(17)14(15(11)18)16(22)21(6-7-23-3)10-12-8-19-20(2)9-12/h4-5,8-9H,6-7,10H2,1-3H3
InChIKeyVLNVUOSLFCZGRA-UHFFFAOYSA-N
XLogP2.30
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-bromo-1-[(3-methylphenyl)carbonyl]-1H-pyrazole
CID 674653
(4-bromo-1H-pyrazol-1-yl)(2,6-difluorophenyl)methanone
CID 674642
US10343992, Example 82
CID 122590885
US10617680, Example 11
CID 140929063
US11242333, Example 96
CID 163407728
{1-[(2E)-3-(1-methyl-1H-pyrazol-4-yl)-2-propenoyl]-3-piperidinyl}[3-(trifluoromethyl)phenyl]methanone
CID 16187787
4-formyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide
CID 146636220
Morpholin-4-yl-[5-phenyl-1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methanone
CID 8080898
N-methyl-N-[(1-methyl-1H-pyrazol-4-yl)methyl]-6-oxo-1-[3-(trifluoromethyl)benzyl]-3-piperidinecarboxamide
CID 24793971
N-methyl-N-[(1-methylpyrazol-4-yl)methyl]-2-(2-phenylethyl)benzamide
CID 31851575
[4-[(4-Bromopyrazol-1-yl)methyl]phenyl]-morpholin-4-ylmethanone
CID 35323260
N-[(1-benzylpyrazol-4-yl)methyl]-4-fluoro-N-methylbenzamide
CID 41810187

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide (CID 50967102) is 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is COCCN(Cc1cnn(C)c1)C(=O)c1c(F)ccc(C)c1F.
What is the InChIKey of 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
The InChIKey is VLNVUOSLFCZGRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F2N3O2/c1-11-4-5-13(17)14(15(11)18)16(22)21(6-7-23-3)10-12-8-19-20(2)9-12/h4-5,8-9H,6-7,10H2,1-3H3.
What are the key properties of 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide?
2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide has a molecular weight of 323.34 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(2-methoxyethyl)-3-methyl-N-[(1-methylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 50967102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).