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

C20H21N3O2 — CID 8961933

IUPAC3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCOCc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H21N3O2/c1-22(20(24)18-8-6-7-16(11-18)15-25-2)13-17-12-21-23(14-17)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3
InChIKeyRISGCPBXQVHTCE-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.29
Rot. Bonds6

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

3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (PubChem CID 8961933) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound Name3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
PubChem CID8961933
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC Name3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
SMILESCOCc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1
InChIInChI=1S/C20H21N3O2/c1-22(20(24)18-8-6-7-16(11-18)15-25-2)13-17-12-21-23(14-17)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3
InChIKeyRISGCPBXQVHTCE-UHFFFAOYSA-N
XLogP3.29
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950596
3,4-difluoro-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950370
3-fluoro-4-methoxy-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8962106
N-methyl-3-(2-methylpropoxy)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8961836
N,4-dimethyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8810657
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
3-[(3-chlorophenyl)sulfamoyl]-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 24504607
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-[3-[methyl-[(1-phenylpyrazol-4-yl)methyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 8962004
N-methyl-4-(methylsulfonylmethyl)-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 8950882

Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide (CID 8961933) is 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is COCc1cccc(C(=O)N(C)Cc2cnn(-c3ccccc3)c2)c1.
What is the InChIKey of 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
The InChIKey is RISGCPBXQVHTCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-22(20(24)18-8-6-7-16(11-18)15-25-2)13-17-12-21-23(14-17)19-9-4-3-5-10-19/h3-12,14H,13,15H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide?
3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide has a molecular weight of 335.41 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-N-methyl-N-[(1-phenylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 8961933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).