1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide

C24H21N3O2 — CID 16925648

IUPAC1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C24H21N3O2/c28-23(25-21-14-8-3-9-15-21)22-17-27(16-19-10-4-1-5-11-19)26-24(22)29-18-20-12-6-2-7-13-20/h1-15,17H,16,18H2,(H,25,28)
InChIKeyINCJQMZIZJGUCZ-UHFFFAOYSA-N
MW383.45 g/mol
LogP4.76
Rot. Bonds7

About 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide

1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide (PubChem CID 16925648) has the molecular formula C24H21N3O2 and a molecular weight of 383.45 g/mol. Its IUPAC name is 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide
PubChem CID16925648
Molecular FormulaC24H21N3O2
Molecular Weight383.45 g/mol
Exact Mass383.16
IUPAC Name1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1
InChIInChI=1S/C24H21N3O2/c28-23(25-21-14-8-3-9-15-21)22-17-27(16-19-10-4-1-5-11-19)26-24(22)29-18-20-12-6-2-7-13-20/h1-15,17H,16,18H2,(H,25,28)
InChIKeyINCJQMZIZJGUCZ-UHFFFAOYSA-N
XLogP4.76
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide (CID 16925648) is 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide is O=C(Nc1ccccc1)c1cn(Cc2ccccc2)nc1OCc1ccccc1.
What is the InChIKey of 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is INCJQMZIZJGUCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2/c28-23(25-21-14-8-3-9-15-21)22-17-27(16-19-10-4-1-5-11-19)26-24(22)29-18-20-12-6-2-7-13-20/h1-15,17H,16,18H2,(H,25,28).
What are the key properties of 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide?
1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 383.45 g/mol, XLogP of 4.76, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-phenyl-3-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 16925648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).