N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide

C19H20F2N6O2 — CID 163302035

About N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide

N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide (PubChem CID 163302035) has the molecular formula C19H20F2N6O2 and a molecular weight of 402.41 g/mol. Its IUPAC name is N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide.

Molecular Properties

• Compound Name: N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
• PubChem CID: 163302035
• Molecular Formula: C19H20F2N6O2
• Molecular Weight: 402.41 g/mol
• Exact Mass: 402.16
• IUPAC Name: N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide
• SMILES: C=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C(F)F)c23)C1
• InChI: InChI=1S/C19H20F2N6O2/c1-4-16(28)26(3)12-5-13(6-12)29-19-17-14(18(20)21)8-23-27(17)10-15(24-19)11-7-22-25(2)9-11/h4,7-10,12-13,18H,1,5-6H2,2-3H3
• InChIKey: OEMMNMVEVPCHOX-UHFFFAOYSA-N
• XLogP: 2.62
• TPSA: 77.55 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	402.41
LogP ≤ 5	2.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?

The IUPAC name of N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide (CID 163302035) is N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide.

What is the SMILES notation for N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?

The canonical SMILES for N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide is C=CC(=O)N(C)C1CC(Oc2nc(-c3cnn(C)c3)cn3ncc(C(F)F)c23)C1.

What is the InChIKey of N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?

The InChIKey is OEMMNMVEVPCHOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F2N6O2/c1-4-16(28)26(3)12-5-13(6-12)29-19-17-14(18(20)21)8-23-27(17)10-15(24-19)11-7-22-25(2)9-11/h4,7-10,12-13,18H,1,5-6H2,2-3H3.

What are the key properties of N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide?

N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide has a molecular weight of 402.41 g/mol, XLogP of 2.62, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-[3-(difluoromethyl)-6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrazin-4-yl]oxycyclobutyl]-N-methylprop-2-enamide is sourced from PubChem (CID 163302035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).