6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

C15H18N6O2 — CID 74243849

About 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid

6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (PubChem CID 74243849) has the molecular formula C15H18N6O2 and a molecular weight of 314.35 g/mol. Its IUPAC name is 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

Molecular Properties

• Compound Name: 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• PubChem CID: 74243849
• Molecular Formula: C15H18N6O2
• Molecular Weight: 314.35 g/mol
• Exact Mass: 314.15
• IUPAC Name: 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
• SMILES: CN(CCc1cnn(C)c1)Cc1cnc2c(C(=O)O)cnn2c1
• InChI: InChI=1S/C15H18N6O2/c1-19(4-3-11-6-17-20(2)9-11)8-12-5-16-14-13(15(22)23)7-18-21(14)10-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23)
• InChIKey: LJHMPXGAPVMLTG-UHFFFAOYSA-N
• XLogP: 0.84
• TPSA: 88.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 23
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	314.35
LogP ≤ 5	0.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The IUPAC name of 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid (CID 74243849) is 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid.

What is the SMILES notation for 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The canonical SMILES for 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is CN(CCc1cnn(C)c1)Cc1cnc2c(C(=O)O)cnn2c1.

What is the InChIKey of 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

The InChIKey is LJHMPXGAPVMLTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N6O2/c1-19(4-3-11-6-17-20(2)9-11)8-12-5-16-14-13(15(22)23)7-18-21(14)10-12/h5-7,9-10H,3-4,8H2,1-2H3,(H,22,23).

What are the key properties of 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid?

6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid has a molecular weight of 314.35 g/mol, XLogP of 0.84, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[methyl-[2-(1-methylpyrazol-4-yl)ethyl]amino]methyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid is sourced from PubChem (CID 74243849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).