(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone

C28H30ClN5O2 — CID 58838391

About (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone

(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone (PubChem CID 58838391) has the molecular formula C28H30ClN5O2 and a molecular weight of 504.03 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone.

Molecular Properties

• Compound Name: (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
• PubChem CID: 58838391
• Molecular Formula: C28H30ClN5O2
• Molecular Weight: 504.03 g/mol
• Exact Mass: 503.21
• IUPAC Name: (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone
• SMILES: O=C(c1ccc(Cl)cc1)N1CCC(n2ncc(C(=O)N3CCC(c4cccnc4)C3)c2C2CC2)CC1
• InChI: InChI=1S/C28H30ClN5O2/c29-23-7-5-20(6-8-23)27(35)32-14-10-24(11-15-32)34-26(19-3-4-19)25(17-31-34)28(36)33-13-9-22(18-33)21-2-1-12-30-16-21/h1-2,5-8,12,16-17,19,22,24H,3-4,9-11,13-15,18H2
• InChIKey: YUNYHVIUEFMSLM-UHFFFAOYSA-N
• XLogP: 4.92
• TPSA: 71.33 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	504.03
LogP ≤ 5	4.92
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone?

The IUPAC name of (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone (CID 58838391) is (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone.

What is the SMILES notation for (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone?

The canonical SMILES for (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone is O=C(c1ccc(Cl)cc1)N1CCC(n2ncc(C(=O)N3CCC(c4cccnc4)C3)c2C2CC2)CC1.

What is the InChIKey of (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone?

The InChIKey is YUNYHVIUEFMSLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30ClN5O2/c29-23-7-5-20(6-8-23)27(35)32-14-10-24(11-15-32)34-26(19-3-4-19)25(17-31-34)28(36)33-13-9-22(18-33)21-2-1-12-30-16-21/h1-2,5-8,12,16-17,19,22,24H,3-4,9-11,13-15,18H2.

What are the key properties of (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone?

(4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone has a molecular weight of 504.03 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chlorophenyl)-[4-[5-cyclopropyl-4-(3-pyridin-3-ylpyrrolidine-1-carbonyl)pyrazol-1-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 58838391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).