1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide

C23H19N3O2 — CID 41450642

IUPAC1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-23(25-28-17-18-10-4-1-5-11-18)21-16-26(20-14-8-3-9-15-20)24-22(21)19-12-6-2-7-13-19/h1-16H,17H2,(H,25,27)
InChIKeyJZQNHVISVYOACA-UHFFFAOYSA-N
MW369.42 g/mol
LogP4.40
Rot. Bonds6

About 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide

1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide (PubChem CID 41450642) has the molecular formula C23H19N3O2 and a molecular weight of 369.42 g/mol. Its IUPAC name is 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide.

Molecular Properties

Compound Name1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide
PubChem CID41450642
Molecular FormulaC23H19N3O2
Molecular Weight369.42 g/mol
Exact Mass369.15
IUPAC Name1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide
SMILESO=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1
InChIInChI=1S/C23H19N3O2/c27-23(25-28-17-18-10-4-1-5-11-18)21-16-26(20-14-8-3-9-15-20)24-22(21)19-12-6-2-7-13-19/h1-16H,17H2,(H,25,27)
InChIKeyJZQNHVISVYOACA-UHFFFAOYSA-N
XLogP4.40
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 54.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide?
The IUPAC name of 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide (CID 41450642) is 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide.
What is the SMILES notation for 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide?
The canonical SMILES for 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide is O=C(NOCc1ccccc1)c1cn(-c2ccccc2)nc1-c1ccccc1.
What is the InChIKey of 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide?
The InChIKey is JZQNHVISVYOACA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O2/c27-23(25-28-17-18-10-4-1-5-11-18)21-16-26(20-14-8-3-9-15-20)24-22(21)19-12-6-2-7-13-19/h1-16H,17H2,(H,25,27).
What are the key properties of 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide?
1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide has a molecular weight of 369.42 g/mol, XLogP of 4.40, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-diphenyl-N-phenylmethoxypyrazole-4-carboxamide is sourced from PubChem (CID 41450642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).