N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide

C26H24N4O3 — CID 16925717

IUPACN-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1
InChIInChI=1S/C26H24N4O3/c1-19(31)27-22-13-8-14-23(15-22)28-25(32)24-17-30(16-20-9-4-2-5-10-20)29-26(24)33-18-21-11-6-3-7-12-21/h2-15,17H,16,18H2,1H3,(H,27,31)(H,28,32)
InChIKeyRQPUFYNGQCONMA-UHFFFAOYSA-N
MW440.50 g/mol
LogP4.72
Rot. Bonds8

About N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide

N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide (PubChem CID 16925717) has the molecular formula C26H24N4O3 and a molecular weight of 440.50 g/mol. Its IUPAC name is N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound NameN-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide
PubChem CID16925717
Molecular FormulaC26H24N4O3
Molecular Weight440.50 g/mol
Exact Mass440.18
IUPAC NameN-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1
InChIInChI=1S/C26H24N4O3/c1-19(31)27-22-13-8-14-23(15-22)28-25(32)24-17-30(16-20-9-4-2-5-10-20)29-26(24)33-18-21-11-6-3-7-12-21/h2-15,17H,16,18H2,1H3,(H,27,31)(H,28,32)
InChIKeyRQPUFYNGQCONMA-UHFFFAOYSA-N
XLogP4.72
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide (CID 16925717) is N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide is CC(=O)Nc1cccc(NC(=O)c2cn(Cc3ccccc3)nc2OCc2ccccc2)c1.
What is the InChIKey of N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is RQPUFYNGQCONMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4O3/c1-19(31)27-22-13-8-14-23(15-22)28-25(32)24-17-30(16-20-9-4-2-5-10-20)29-26(24)33-18-21-11-6-3-7-12-21/h2-15,17H,16,18H2,1H3,(H,27,31)(H,28,32).
What are the key properties of N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide?
N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 440.50 g/mol, XLogP of 4.72, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-acetamidophenyl)-1-benzyl-3-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 16925717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).