N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide

C21H21F7N6O2 — CID 162606153

About N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide

N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide (PubChem CID 162606153) has the molecular formula C21H21F7N6O2 and a molecular weight of 522.43 g/mol. Its IUPAC name is N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide
• PubChem CID: 162606153
• Molecular Formula: C21H21F7N6O2
• Molecular Weight: 522.43 g/mol
• Exact Mass: 522.16
• IUPAC Name: N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide
• SMILES: CC1=C(C(=O)N(C)C2CC2)C=C(c2cnn(-c3c(OC(F)F)c(C(F)(F)C(F)(F)F)nn3C)c2)CN1
• InChI: InChI=1S/C21H21F7N6O2/c1-10-14(18(35)32(2)13-4-5-13)6-11(7-29-10)12-8-30-34(9-12)17-15(36-19(22)23)16(31-33(17)3)20(24,25)21(26,27)28/h6,8-9,13,19,29H,4-5,7H2,1-3H3
• InChIKey: GEROWYOFEJXLSK-UHFFFAOYSA-N
• XLogP: 3.74
• TPSA: 77.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.43
LogP ≤ 5	3.74
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide?

The IUPAC name of N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide (CID 162606153) is N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide.

What is the SMILES notation for N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide?

The canonical SMILES for N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide is CC1=C(C(=O)N(C)C2CC2)C=C(c2cnn(-c3c(OC(F)F)c(C(F)(F)C(F)(F)F)nn3C)c2)CN1.

What is the InChIKey of N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide?

The InChIKey is GEROWYOFEJXLSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F7N6O2/c1-10-14(18(35)32(2)13-4-5-13)6-11(7-29-10)12-8-30-34(9-12)17-15(36-19(22)23)16(31-33(17)3)20(24,25)21(26,27)28/h6,8-9,13,19,29H,4-5,7H2,1-3H3.

What are the key properties of N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide?

N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide has a molecular weight of 522.43 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-cyclopropyl-3-[1-[4-(difluoromethoxy)-1-methyl-3-(1,1,2,2,2-pentafluoroethyl)pyrazol-5-yl]pyrazol-4-yl]-N,6-dimethyl-1,2-dihydropyridine-5-carboxamide is sourced from PubChem (CID 162606153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).