4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid

C23H17N3O3 — CID 1342784

IUPAC4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3/c27-22(24-18-13-11-17(12-14-18)23(28)29)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)(H,28,29)
InChIKeyGNRUNNQXJIXNHD-UHFFFAOYSA-N
MW383.41 g/mol
LogP4.49
Rot. Bonds5

About 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid

4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid (PubChem CID 1342784) has the molecular formula C23H17N3O3 and a molecular weight of 383.41 g/mol. Its IUPAC name is 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid.

Molecular Properties

Compound Name4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid
PubChem CID1342784
Molecular FormulaC23H17N3O3
Molecular Weight383.41 g/mol
Exact Mass383.13
IUPAC Name4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid
SMILESO=C(O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C23H17N3O3/c27-22(24-18-13-11-17(12-14-18)23(28)29)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)(H,28,29)
InChIKeyGNRUNNQXJIXNHD-UHFFFAOYSA-N
XLogP4.49
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid?
The IUPAC name of 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid (CID 1342784) is 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid.
What is the SMILES notation for 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid?
The canonical SMILES for 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid is O=C(O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid?
The InChIKey is GNRUNNQXJIXNHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17N3O3/c27-22(24-18-13-11-17(12-14-18)23(28)29)20-15-26(19-9-5-2-6-10-19)25-21(20)16-7-3-1-4-8-16/h1-15H,(H,24,27)(H,28,29).
What are the key properties of 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid?
4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid has a molecular weight of 383.41 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(1,3-diphenylpyrazole-4-carbonyl)amino]benzoic acid is sourced from PubChem (CID 1342784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).