3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid

C19H17N3O3 — CID 171782852

IUPAC3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccnn3C)c2)cc1
InChIInChI=1S/C19H17N3O3/c1-12-3-5-13(6-4-12)18(23)21-16-10-14(9-15(11-16)19(24)25)17-7-8-20-22(17)2/h3-11H,1-2H3,(H,21,23)(H,24,25)
InChIKeyGHNABBGFYOSNGU-UHFFFAOYSA-N
MW335.36 g/mol
LogP3.35
Rot. Bonds4

About 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid

3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid (PubChem CID 171782852) has the molecular formula C19H17N3O3 and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid.

Molecular Properties

Compound Name3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid
PubChem CID171782852
Molecular FormulaC19H17N3O3
Molecular Weight335.36 g/mol
Exact Mass335.13
IUPAC Name3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid
SMILESCc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccnn3C)c2)cc1
InChIInChI=1S/C19H17N3O3/c1-12-3-5-13(6-4-12)18(23)21-16-10-14(9-15(11-16)19(24)25)17-7-8-20-22(17)2/h3-11H,1-2H3,(H,21,23)(H,24,25)
InChIKeyGHNABBGFYOSNGU-UHFFFAOYSA-N
XLogP3.35
TPSA84.22 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid?
The IUPAC name of 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid (CID 171782852) is 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid.
What is the SMILES notation for 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid?
The canonical SMILES for 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid is Cc1ccc(C(=O)Nc2cc(C(=O)O)cc(-c3ccnn3C)c2)cc1.
What is the InChIKey of 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid?
The InChIKey is GHNABBGFYOSNGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O3/c1-12-3-5-13(6-4-12)18(23)21-16-10-14(9-15(11-16)19(24)25)17-7-8-20-22(17)2/h3-11H,1-2H3,(H,21,23)(H,24,25).
What are the key properties of 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid?
3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid has a molecular weight of 335.36 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylbenzoyl)amino]-5-(2-methylpyrazol-3-yl)benzoic acid is sourced from PubChem (CID 171782852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).