5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

C22H25ClN4O2 — CID 2494653

About 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide

5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (PubChem CID 2494653) has the molecular formula C22H25ClN4O2 and a molecular weight of 412.92 g/mol. Its IUPAC name is 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
• PubChem CID: 2494653
• Molecular Formula: C22H25ClN4O2
• Molecular Weight: 412.92 g/mol
• Exact Mass: 412.17
• IUPAC Name: 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide
• SMILES: Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)N1CCCCC1
• InChI: InChI=1S/C22H25ClN4O2/c1-16-20(21(23)27(25-16)17-9-4-2-5-10-17)22(28)24-15-18(19-11-8-14-29-19)26-12-6-3-7-13-26/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,24,28)/t18-/m0/s1
• InChIKey: DAKMKRJZVHUEJJ-SFHVURJKSA-N
• XLogP: 4.38
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	412.92
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?

The IUPAC name of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide (CID 2494653) is 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide.

What is the SMILES notation for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?

The canonical SMILES for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is Cc1nn(-c2ccccc2)c(Cl)c1C(=O)NC[C@@H](c1ccco1)N1CCCCC1.

What is the InChIKey of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?

The InChIKey is DAKMKRJZVHUEJJ-SFHVURJKSA-N. The full InChI is InChI=1S/C22H25ClN4O2/c1-16-20(21(23)27(25-16)17-9-4-2-5-10-17)22(28)24-15-18(19-11-8-14-29-19)26-12-6-3-7-13-26/h2,4-5,8-11,14,18H,3,6-7,12-13,15H2,1H3,(H,24,28)/t18-/m0/s1.

What are the key properties of 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide?

5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide has a molecular weight of 412.92 g/mol, XLogP of 4.38, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-N-[(2S)-2-(furan-2-yl)-2-piperidin-1-ylethyl]-3-methyl-1-phenylpyrazole-4-carboxamide is sourced from PubChem (CID 2494653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).