3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid

C20H15N5O3S — CID 177207667

About 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid

3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid (PubChem CID 177207667) has the molecular formula C20H15N5O3S and a molecular weight of 405.44 g/mol. Its IUPAC name is 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid.

Molecular Properties

• Compound Name: 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid
• PubChem CID: 177207667
• Molecular Formula: C20H15N5O3S
• Molecular Weight: 405.44 g/mol
• Exact Mass: 405.09
• IUPAC Name: 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid
• SMILES: Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)n(-c2cccc(C(=O)O)c2)n1
• InChI: InChI=1S/C20H15N5O3S/c1-12-9-17(25(24-12)14-6-4-5-13(10-14)19(27)28)18(26)23-20-22-16(11-29-20)15-7-2-3-8-21-15/h2-11H,1H3,(H,27,28)(H,22,23,26)
• InChIKey: UAURNLKBGSBLRX-UHFFFAOYSA-N
• XLogP: 3.65
• TPSA: 110.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	405.44
LogP ≤ 5	3.65
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid?

The IUPAC name of 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid (CID 177207667) is 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid.

What is the SMILES notation for 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid?

The canonical SMILES for 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid is Cc1cc(C(=O)Nc2nc(-c3ccccn3)cs2)n(-c2cccc(C(=O)O)c2)n1.

What is the InChIKey of 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid?

The InChIKey is UAURNLKBGSBLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3S/c1-12-9-17(25(24-12)14-6-4-5-13(10-14)19(27)28)18(26)23-20-22-16(11-29-20)15-7-2-3-8-21-15/h2-11H,1H3,(H,27,28)(H,22,23,26).

What are the key properties of 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid?

3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid has a molecular weight of 405.44 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-methyl-5-[(4-pyridin-2-yl-1,3-thiazol-2-yl)carbamoyl]pyrazol-1-yl]benzoic acid is sourced from PubChem (CID 177207667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).