(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

C19H17N5O3 — CID 143619343

About (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone

(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (PubChem CID 143619343) has the molecular formula C19H17N5O3 and a molecular weight of 363.38 g/mol. Its IUPAC name is (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

Molecular Properties

• Compound Name: (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• PubChem CID: 143619343
• Molecular Formula: C19H17N5O3
• Molecular Weight: 363.38 g/mol
• Exact Mass: 363.13
• IUPAC Name: (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone
• SMILES: Cc1cnc2cc(C(=O)N3CC=C(c4ccccc4[N+](=O)[O-])CC3)nn2c1
• InChI: InChI=1S/C19H17N5O3/c1-13-11-20-18-10-16(21-23(18)12-13)19(25)22-8-6-14(7-9-22)15-4-2-3-5-17(15)24(26)27/h2-6,10-12H,7-9H2,1H3
• InChIKey: OYLIPWBVCSVIDF-UHFFFAOYSA-N
• XLogP: 2.88
• TPSA: 93.64 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.38
LogP ≤ 5	2.88
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The IUPAC name of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone (CID 143619343) is (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone.

What is the SMILES notation for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The canonical SMILES for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is Cc1cnc2cc(C(=O)N3CC=C(c4ccccc4[N+](=O)[O-])CC3)nn2c1.

What is the InChIKey of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

The InChIKey is OYLIPWBVCSVIDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3/c1-13-11-20-18-10-16(21-23(18)12-13)19(25)22-8-6-14(7-9-22)15-4-2-3-5-17(15)24(26)27/h2-6,10-12H,7-9H2,1H3.

What are the key properties of (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone?

(6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone has a molecular weight of 363.38 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (6-methylpyrazolo[1,5-a]pyrimidin-2-yl)-[4-(2-nitrophenyl)-3,6-dihydro-2H-pyridin-1-yl]methanone is sourced from PubChem (CID 143619343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).