N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide

C20H21N3O — CID 8943359

IUPACN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(13-21-20(24)18-11-7-4-8-12-18)16(2)23(22-15)14-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyQTRAUTRGEQRJCK-UHFFFAOYSA-N
MW319.41 g/mol
LogP3.48
Rot. Bonds5

About N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide

N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide (PubChem CID 8943359) has the molecular formula C20H21N3O and a molecular weight of 319.41 g/mol. Its IUPAC name is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide.

Molecular Properties

Compound NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
PubChem CID8943359
Molecular FormulaC20H21N3O
Molecular Weight319.41 g/mol
Exact Mass319.17
IUPAC NameN-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide
SMILESCc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1
InChIInChI=1S/C20H21N3O/c1-15-19(13-21-20(24)18-11-7-4-8-12-18)16(2)23(22-15)14-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,24)
InChIKeyQTRAUTRGEQRJCK-UHFFFAOYSA-N
XLogP3.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
The IUPAC name of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide (CID 8943359) is N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide.
What is the SMILES notation for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
The canonical SMILES for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide is Cc1nn(Cc2ccccc2)c(C)c1CNC(=O)c1ccccc1.
What is the InChIKey of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
The InChIKey is QTRAUTRGEQRJCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O/c1-15-19(13-21-20(24)18-11-7-4-8-12-18)16(2)23(22-15)14-17-9-5-3-6-10-17/h3-12H,13-14H2,1-2H3,(H,21,24).
What are the key properties of N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide?
N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide has a molecular weight of 319.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3,5-dimethylpyrazol-4-yl)methyl]benzamide is sourced from PubChem (CID 8943359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).