[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

C22H27N5O — CID 56739225

About [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (PubChem CID 56739225) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

Molecular Properties

• Compound Name: [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
• PubChem CID: 56739225
• Molecular Formula: C22H27N5O
• Molecular Weight: 377.49 g/mol
• Exact Mass: 377.22
• IUPAC Name: [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone
• SMILES: CCn1nc(CC(C)C)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1
• InChI: InChI=1S/C22H27N5O/c1-4-27-20(13-17(25-27)12-15(2)3)22(28)26-11-10-19-18(14-26)21(24-23-19)16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3,(H,23,24)
• InChIKey: WYIUWUYNJUXCIW-UHFFFAOYSA-N
• XLogP: 3.69
• TPSA: 66.81 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	377.49
LogP ≤ 5	3.69
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?

The IUPAC name of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone (CID 56739225) is [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone.

What is the SMILES notation for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?

The canonical SMILES for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is CCn1nc(CC(C)C)cc1C(=O)N1CCc2[nH]nc(-c3ccccc3)c2C1.

What is the InChIKey of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?

The InChIKey is WYIUWUYNJUXCIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O/c1-4-27-20(13-17(25-27)12-15(2)3)22(28)26-11-10-19-18(14-26)21(24-23-19)16-8-6-5-7-9-16/h5-9,13,15H,4,10-12,14H2,1-3H3,(H,23,24).

What are the key properties of [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone?

[1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone has a molecular weight of 377.49 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for [1-ethyl-3-(2-methylpropyl)pyrazol-5-yl]-(3-phenyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)methanone is sourced from PubChem (CID 56739225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).