1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

C26H24FN3O3 — CID 124882051

About 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide

1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide (PubChem CID 124882051) has the molecular formula C26H24FN3O3 and a molecular weight of 445.49 g/mol. Its IUPAC name is 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
• PubChem CID: 124882051
• Molecular Formula: C26H24FN3O3
• Molecular Weight: 445.49 g/mol
• Exact Mass: 445.18
• IUPAC Name: 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide
• SMILES: COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1
• InChI: InChI=1S/C26H24FN3O3/c1-17(31)22-14-20(10-13-24(22)27)28-26(32)23-16-30(15-18-6-4-3-5-7-18)29-25(23)19-8-11-21(33-2)12-9-19/h3-14,16-17,31H,15H2,1-2H3,(H,28,32)/t17-/m1/s1
• InChIKey: JVTVKULBDJEZDP-QGZVFWFLSA-N
• XLogP: 5.05
• TPSA: 76.38 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	445.49
LogP ≤ 5	5.05
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?

The IUPAC name of 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide (CID 124882051) is 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide.

What is the SMILES notation for 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?

The canonical SMILES for 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide is COc1ccc(-c2nn(Cc3ccccc3)cc2C(=O)Nc2ccc(F)c([C@@H](C)O)c2)cc1.

What is the InChIKey of 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?

The InChIKey is JVTVKULBDJEZDP-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H24FN3O3/c1-17(31)22-14-20(10-13-24(22)27)28-26(32)23-16-30(15-18-6-4-3-5-7-18)29-25(23)19-8-11-21(33-2)12-9-19/h3-14,16-17,31H,15H2,1-2H3,(H,28,32)/t17-/m1/s1.

What are the key properties of 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide?

1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide has a molecular weight of 445.49 g/mol, XLogP of 5.05, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-benzyl-N-[4-fluoro-3-[(1R)-1-hydroxyethyl]phenyl]-3-(4-methoxyphenyl)pyrazole-4-carboxamide is sourced from PubChem (CID 124882051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).