2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid

C17H15N3O2 — CID 2381421

IUPAC2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid
SMILESCc1cc(Nc2ccccc2)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C17H15N3O2/c1-12-11-16(18-13-7-3-2-4-8-13)20(19-12)15-10-6-5-9-14(15)17(21)22/h2-11,18H,1H3,(H,21,22)
InChIKeyNKHAZDHJBGOELB-UHFFFAOYSA-N
MW293.33 g/mol
LogP3.62
Rot. Bonds4

About 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid

2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid (PubChem CID 2381421) has the molecular formula C17H15N3O2 and a molecular weight of 293.33 g/mol. Its IUPAC name is 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid.

Molecular Properties

Compound Name2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid
PubChem CID2381421
Molecular FormulaC17H15N3O2
Molecular Weight293.33 g/mol
Exact Mass293.12
IUPAC Name2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid
SMILESCc1cc(Nc2ccccc2)n(-c2ccccc2C(=O)O)n1
InChIInChI=1S/C17H15N3O2/c1-12-11-16(18-13-7-3-2-4-8-13)20(19-12)15-10-6-5-9-14(15)17(21)22/h2-11,18H,1H3,(H,21,22)
InChIKeyNKHAZDHJBGOELB-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-anilino-3-methylpyrazol-1-yl)benzoic acid?
The IUPAC name of 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid (CID 2381421) is 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid.
What is the SMILES notation for 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid?
The canonical SMILES for 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid is Cc1cc(Nc2ccccc2)n(-c2ccccc2C(=O)O)n1.
What is the InChIKey of 2-(5-anilino-3-methylpyrazol-1-yl)benzoic acid?
The InChIKey is NKHAZDHJBGOELB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O2/c1-12-11-16(18-13-7-3-2-4-8-13)20(19-12)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-anilino-3-methylpyrazol-1-yl)benzoic acid?
2-(5-anilino-3-methylpyrazol-1-yl)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-anilino-3-methylpyrazol-1-yl)benzoic acid is sourced from PubChem (CID 2381421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).