N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide

C25H23N3O2 — CID 42357493

IUPACN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-30-23-15-9-8-14-22(23)25(29)26-16-21-18-28(17-19-10-4-2-5-11-19)27-24(21)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,29)
InChIKeyIDHYPXQPSZCFKT-UHFFFAOYSA-N
MW397.48 g/mol
LogP4.54
Rot. Bonds7

About N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide

N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide (PubChem CID 42357493) has the molecular formula C25H23N3O2 and a molecular weight of 397.48 g/mol. Its IUPAC name is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide
PubChem CID42357493
Molecular FormulaC25H23N3O2
Molecular Weight397.48 g/mol
Exact Mass397.18
IUPAC NameN-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C25H23N3O2/c1-30-23-15-9-8-14-22(23)25(29)26-16-21-18-28(17-19-10-4-2-5-11-19)27-24(21)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,29)
InChIKeyIDHYPXQPSZCFKT-UHFFFAOYSA-N
XLogP4.54
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.48
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The IUPAC name of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide (CID 42357493) is N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The canonical SMILES for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide is COc1ccccc1C(=O)NCc1cn(Cc2ccccc2)nc1-c1ccccc1.
What is the InChIKey of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide?
The InChIKey is IDHYPXQPSZCFKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O2/c1-30-23-15-9-8-14-22(23)25(29)26-16-21-18-28(17-19-10-4-2-5-11-19)27-24(21)20-12-6-3-7-13-20/h2-15,18H,16-17H2,1H3,(H,26,29).
What are the key properties of N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide?
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide has a molecular weight of 397.48 g/mol, XLogP of 4.54, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxybenzamide is sourced from PubChem (CID 42357493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).