sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride

C24H31FN3NaO5 — CID 173122451

About sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride

sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride (PubChem CID 173122451) has the molecular formula C24H31FN3NaO5 and a molecular weight of 483.52 g/mol. Its IUPAC name is sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride.

Molecular Properties

• Compound Name: sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
• PubChem CID: 173122451
• Molecular Formula: C24H31FN3NaO5
• Molecular Weight: 483.52 g/mol
• Exact Mass: 483.21
• IUPAC Name: sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride
• SMILES: CC(C)c1c(C(=O)N(C)C2CC2)nn(-c2ccc(F)cc2)c1C=C[C@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+]
• InChI: InChI=1S/C24H30FN3O5.Na.H/c1-14(2)22-20(11-10-18(29)12-19(30)13-21(31)32)28(17-6-4-15(25)5-7-17)26-23(22)24(33)27(3)16-8-9-16;;/h4-7,10-11,14,16,18-19,29-30H,8-9,12-13H2,1-3H3,(H,31,32);;/q;+1;-1/t18-,19+;;/m0../s1
• InChIKey: CCASDSAWYOHANJ-DPSPSOFVSA-N
• XLogP: 0.09
• TPSA: 115.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	483.52
LogP ≤ 5	0.09
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride?

The IUPAC name of sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride (CID 173122451) is sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride.

What is the SMILES notation for sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride?

The canonical SMILES for sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride is CC(C)c1c(C(=O)N(C)C2CC2)nn(-c2ccc(F)cc2)c1C=C[C@H](O)C[C@@H](O)CC(=O)O.[H-].[Na+].

What is the InChIKey of sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride?

The InChIKey is CCASDSAWYOHANJ-DPSPSOFVSA-N. The full InChI is InChI=1S/C24H30FN3O5.Na.H/c1-14(2)22-20(11-10-18(29)12-19(30)13-21(31)32)28(17-6-4-15(25)5-7-17)26-23(22)24(33)27(3)16-8-9-16;;/h4-7,10-11,14,16,18-19,29-30H,8-9,12-13H2,1-3H3,(H,31,32);;/q;+1;-1/t18-,19+;;/m0../s1.

What are the key properties of sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride?

sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride has a molecular weight of 483.52 g/mol, XLogP of 0.09, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for sodium;(3R,5R)-7-[5-[cyclopropyl(methyl)carbamoyl]-2-(4-fluorophenyl)-4-propan-2-ylpyrazol-3-yl]-3,5-dihydroxyhept-6-enoic acid;hydride is sourced from PubChem (CID 173122451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).