1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C14H10ClF3N4O3 — CID 134852262

About 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 134852262) has the molecular formula C14H10ClF3N4O3 and a molecular weight of 374.71 g/mol. Its IUPAC name is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

• Compound Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• PubChem CID: 134852262
• Molecular Formula: C14H10ClF3N4O3
• Molecular Weight: 374.71 g/mol
• Exact Mass: 374.04
• IUPAC Name: 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid
• SMILES: Cc1c(C(=O)O)nc2n(c1=O)N(c1ncc(C(F)(F)F)cc1Cl)CC2
• InChI: InChI=1S/C14H10ClF3N4O3/c1-6-10(13(24)25)20-9-2-3-21(22(9)12(6)23)11-8(15)4-7(5-19-11)14(16,17)18/h4-5H,2-3H2,1H3,(H,24,25)
• InChIKey: FNMAALCJYYTSTL-UHFFFAOYSA-N
• XLogP: 2.14
• TPSA: 88.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	374.71
LogP ≤ 5	2.14
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The IUPAC name of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 134852262) is 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

What is the SMILES notation for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The canonical SMILES for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is Cc1c(C(=O)O)nc2n(c1=O)N(c1ncc(C(F)(F)F)cc1Cl)CC2.

What is the InChIKey of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

The InChIKey is FNMAALCJYYTSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClF3N4O3/c1-6-10(13(24)25)20-9-2-3-21(22(9)12(6)23)11-8(15)4-7(5-19-11)14(16,17)18/h4-5H,2-3H2,1H3,(H,24,25).

What are the key properties of 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid?

1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 374.71 g/mol, XLogP of 2.14, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-methyl-7-oxo-2,3-dihydropyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 134852262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).