3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

C23H26FN5O2 — CID 47049399

About 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide

3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (PubChem CID 47049399) has the molecular formula C23H26FN5O2 and a molecular weight of 423.49 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

• Compound Name: 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
• PubChem CID: 47049399
• Molecular Formula: C23H26FN5O2
• Molecular Weight: 423.49 g/mol
• Exact Mass: 423.21
• IUPAC Name: 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide
• SMILES: O=C(NCc1ccc(N2CCCCC2CCO)nc1)c1cc(-c2ccc(F)cc2)n[nH]1
• InChI: InChI=1S/C23H26FN5O2/c24-18-7-5-17(6-8-18)20-13-21(28-27-20)23(31)26-15-16-4-9-22(25-14-16)29-11-2-1-3-19(29)10-12-30/h4-9,13-14,19,30H,1-3,10-12,15H2,(H,26,31)(H,27,28)
• InChIKey: QWJFNGSSRREDCM-UHFFFAOYSA-N
• XLogP: 3.28
• TPSA: 94.14 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.49
LogP ≤ 5	3.28
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?

The IUPAC name of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide (CID 47049399) is 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide.

What is the SMILES notation for 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?

The canonical SMILES for 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is O=C(NCc1ccc(N2CCCCC2CCO)nc1)c1cc(-c2ccc(F)cc2)n[nH]1.

What is the InChIKey of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?

The InChIKey is QWJFNGSSRREDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26FN5O2/c24-18-7-5-17(6-8-18)20-13-21(28-27-20)23(31)26-15-16-4-9-22(25-14-16)29-11-2-1-3-19(29)10-12-30/h4-9,13-14,19,30H,1-3,10-12,15H2,(H,26,31)(H,27,28).

What are the key properties of 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide?

3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide has a molecular weight of 423.49 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(4-fluorophenyl)-N-[[6-[2-(2-hydroxyethyl)piperidin-1-yl]-3-pyridinyl]methyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 47049399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).