3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

C14H15F2N3O2 — CID 19452126

IUPAC3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H15F2N3O2/c1-18(9-11-6-7-19(2)17-11)13(20)10-4-3-5-12(8-10)21-14(15)16/h3-8,14H,9H2,1-2H3
InChIKeyIDOWFQJQUDNXPJ-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.29
Rot. Bonds5

About 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide

3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (PubChem CID 19452126) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
PubChem CID19452126
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
SMILESCN(Cc1ccn(C)n1)C(=O)c1cccc(OC(F)F)c1
InChIInChI=1S/C14H15F2N3O2/c1-18(9-11-6-7-19(2)17-11)13(20)10-4-3-5-12(8-10)21-14(15)16/h3-8,14H,9H2,1-2H3
InChIKeyIDOWFQJQUDNXPJ-UHFFFAOYSA-N
XLogP2.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3-nitrobenzamide
CID 19452066
N-[(3,4-dichlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112792497
N-[(2-chlorophenyl)methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 112790356
3-(difluoromethoxy)-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 136577410
3-[(2,5-dimethylphenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452211
3-(difluoromethoxy)-N-methyl-N-(3,3,3-trifluoropropyl)benzamide
CID 86833598
N-methyl-N-[(1-methylpyrazol-3-yl)methyl]-3,5-dinitrobenzamide
CID 19452078
4-[(4-fluorophenoxy)methyl]-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452193
N-methyl-3-[(3-methyl-4-nitrophenoxy)methyl]-N-[(1-methylpyrazol-3-yl)methyl]benzamide
CID 19452133
N-[[5-(4-bromophenyl)furan-2-yl]methyl]-3-(difluoromethoxy)-N-methylbenzamide
CID 18229282
4-(difluoromethoxy)-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 86929112
[1-[3-(difluoromethoxy)phenyl]-2-(1-methylpyrazol-3-yl)ethyl]hydrazine
CID 105329486

Frequently Asked Questions

What is the IUPAC name of 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The IUPAC name of 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide (CID 19452126) is 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide.
What is the SMILES notation for 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The canonical SMILES for 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is CN(Cc1ccn(C)n1)C(=O)c1cccc(OC(F)F)c1.
What is the InChIKey of 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
The InChIKey is IDOWFQJQUDNXPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-18(9-11-6-7-19(2)17-11)13(20)10-4-3-5-12(8-10)21-14(15)16/h3-8,14H,9H2,1-2H3.
What are the key properties of 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide?
3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide has a molecular weight of 295.29 g/mol, XLogP of 2.29, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(difluoromethoxy)-N-methyl-N-[(1-methylpyrazol-3-yl)methyl]benzamide is sourced from PubChem (CID 19452126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).