N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

C29H26F6N6O2 — CID 163585293

About N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 163585293) has the molecular formula C29H26F6N6O2 and a molecular weight of 604.56 g/mol. Its IUPAC name is N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

• Compound Name: N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
• PubChem CID: 163585293
• Molecular Formula: C29H26F6N6O2
• Molecular Weight: 604.56 g/mol
• Exact Mass: 604.20
• IUPAC Name: N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
• SMILES: CC(NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)NC2(C3=NC3)CC2)cc1
• InChI: InChI=1S/C29H26F6N6O2/c1-16(18-5-7-19(8-6-18)24(42)38-27(9-10-27)21-14-36-21)37-25(43)22-23(29(33,34)35)39-41-12-11-40(26(22)41)15-17-3-2-4-20(13-17)28(30,31)32/h2-8,13,16H,9-12,14-15H2,1H3,(H,37,43)(H,38,42)
• InChIKey: GKYYKEFMXMMEGJ-UHFFFAOYSA-N
• XLogP: 5.15
• TPSA: 91.62 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	604.56
LogP ≤ 5	5.15
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

The IUPAC name of N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 163585293) is N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

What is the SMILES notation for N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

The canonical SMILES for N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is CC(NC(=O)c1c(C(F)(F)F)nn2c1N(Cc1cccc(C(F)(F)F)c1)CC2)c1ccc(C(=O)NC2(C3=NC3)CC2)cc1.

What is the InChIKey of N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

The InChIKey is GKYYKEFMXMMEGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26F6N6O2/c1-16(18-5-7-19(8-6-18)24(42)38-27(9-10-27)21-14-36-21)37-25(43)22-23(29(33,34)35)39-41-12-11-40(26(22)41)15-17-3-2-4-20(13-17)28(30,31)32/h2-8,13,16H,9-12,14-15H2,1H3,(H,37,43)(H,38,42).

What are the key properties of N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 604.56 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[4-[[1-(2H-azirin-3-yl)cyclopropyl]carbamoyl]phenyl]ethyl]-6-(trifluoromethyl)-1-[[3-(trifluoromethyl)phenyl]methyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 163585293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).