2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid

C17H15N3O2 — CID 2727736

IUPAC2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid
SMILESCc1cc(Nc2ccccc2C(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O2/c1-12-11-16(20(19-12)13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17(21)22/h2-11,18H,1H3,(H,21,22)
InChIKeyBEBPGMIPMSDXPR-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.62
Rot. Bonds4

About 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid

2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid (PubChem CID 2727736) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid.

Molecular Properties

Compound Name2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid
PubChem CID2727736
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid
SMILESCc1cc(Nc2ccccc2C(=O)O)n(-c2ccccc2)n1
InChIInChI=1S/C17H15N3O2/c1-12-11-16(20(19-12)13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17(21)22/h2-11,18H,1H3,(H,21,22)
InChIKeyBEBPGMIPMSDXPR-UHFFFAOYSA-N
XLogP3.62
TPSA67.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.33
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid?
The IUPAC name of 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid (CID 2727736) is 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid.
What is the SMILES notation for 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid?
The canonical SMILES for 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid is Cc1cc(Nc2ccccc2C(=O)O)n(-c2ccccc2)n1.
What is the InChIKey of 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid?
The InChIKey is BEBPGMIPMSDXPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-11-16(20(19-12)13-7-3-2-4-8-13)18-15-10-6-5-9-14(15)17(21)22/h2-11,18H,1H3,(H,21,22).
What are the key properties of 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid?
2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid has a molecular weight of 293.33 g/mol, XLogP of 3.62, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-methyl-2-phenylpyrazol-3-yl)amino]benzoic acid is sourced from PubChem (CID 2727736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).