[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone

C19H20N4O — CID 53185513

About [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone

[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (PubChem CID 53185513) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.

Molecular Properties

• Compound Name: [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
• PubChem CID: 53185513
• Molecular Formula: C19H20N4O
• Molecular Weight: 320.40 g/mol
• Exact Mass: 320.16
• IUPAC Name: [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone
• SMILES: Cc1ccc(-c2n[nH]c3c2CN(C(=O)c2cccn2C)CC3)cc1
• InChI: InChI=1S/C19H20N4O/c1-13-5-7-14(8-6-13)18-15-12-23(11-9-16(15)20-21-18)19(24)17-4-3-10-22(17)2/h3-8,10H,9,11-12H2,1-2H3,(H,20,21)
• InChIKey: RRYMVWYJXPYPKF-UHFFFAOYSA-N
• XLogP: 2.92
• TPSA: 53.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 3
• Rotatable Bonds: 2
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	320.40
LogP ≤ 5	2.92
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	3

Frequently Asked Questions

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

The IUPAC name of [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone (CID 53185513) is [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone.

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

The canonical SMILES for [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is Cc1ccc(-c2n[nH]c3c2CN(C(=O)c2cccn2C)CC3)cc1.

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

The InChIKey is RRYMVWYJXPYPKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-13-5-7-14(8-6-13)18-15-12-23(11-9-16(15)20-21-18)19(24)17-4-3-10-22(17)2/h3-8,10H,9,11-12H2,1-2H3,(H,20,21).

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

[3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone has a molecular weight of 320.40 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.

Where does this data come from?

All data for [3-(4-methylphenyl)-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl]-(1-methylpyrrol-2-yl)methanone is sourced from PubChem (CID 53185513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).