4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid

C18H25N5O3 — CID 56891314

About 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid

4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid (PubChem CID 56891314) has the molecular formula C18H25N5O3 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid.

Molecular Properties

• Compound Name: 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
• PubChem CID: 56891314
• Molecular Formula: C18H25N5O3
• Molecular Weight: 359.43 g/mol
• Exact Mass: 359.20
• IUPAC Name: 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid
• SMILES: Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1
• InChI: InChI=1S/C18H25N5O3/c1-13-15(14(2)21(3)20-13)5-6-16(24)22-11-7-18(8-12-22,17(25)26)23-10-4-9-19-23/h4,9-10H,5-8,11-12H2,1-3H3,(H,25,26)
• InChIKey: NJHYZQHLPRXGBN-UHFFFAOYSA-N
• XLogP: 1.27
• TPSA: 93.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	359.43
LogP ≤ 5	1.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?

The IUPAC name of 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid (CID 56891314) is 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid.

What is the SMILES notation for 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?

The canonical SMILES for 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid is Cc1nn(C)c(C)c1CCC(=O)N1CCC(C(=O)O)(n2cccn2)CC1.

What is the InChIKey of 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?

The InChIKey is NJHYZQHLPRXGBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O3/c1-13-15(14(2)21(3)20-13)5-6-16(24)22-11-7-18(8-12-22,17(25)26)23-10-4-9-19-23/h4,9-10H,5-8,11-12H2,1-3H3,(H,25,26).

What are the key properties of 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid?

4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid has a molecular weight of 359.43 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-pyrazol-1-yl-1-[3-(1,3,5-trimethylpyrazol-4-yl)propanoyl]piperidine-4-carboxylic acid is sourced from PubChem (CID 56891314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).