1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

C25H28F2N4O2 — CID 145296869

About 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide

1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (PubChem CID 145296869) has the molecular formula C25H28F2N4O2 and a molecular weight of 454.52 g/mol. Its IUPAC name is 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

Molecular Properties

• Compound Name: 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
• PubChem CID: 145296869
• Molecular Formula: C25H28F2N4O2
• Molecular Weight: 454.52 g/mol
• Exact Mass: 454.22
• IUPAC Name: 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide
• SMILES: Cc1ccc([C@H](C)NC(=O)c2c(CO)nn3c2N(Cc2cccc(C(C)(F)F)c2)CC3)cc1
• InChI: InChI=1S/C25H28F2N4O2/c1-16-7-9-19(10-8-16)17(2)28-23(33)22-21(15-32)29-31-12-11-30(24(22)31)14-18-5-4-6-20(13-18)25(3,26)27/h4-10,13,17,32H,11-12,14-15H2,1-3H3,(H,28,33)/t17-/m0/s1
• InChIKey: LLPDQMMSTOZGBJ-KRWDZBQOSA-N
• XLogP: 4.31
• TPSA: 70.39 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	454.52
LogP ≤ 5	4.31
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

The IUPAC name of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide (CID 145296869) is 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide.

What is the SMILES notation for 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

The canonical SMILES for 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is Cc1ccc([C@H](C)NC(=O)c2c(CO)nn3c2N(Cc2cccc(C(C)(F)F)c2)CC3)cc1.

What is the InChIKey of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

The InChIKey is LLPDQMMSTOZGBJ-KRWDZBQOSA-N. The full InChI is InChI=1S/C25H28F2N4O2/c1-16-7-9-19(10-8-16)17(2)28-23(33)22-21(15-32)29-31-12-11-30(24(22)31)14-18-5-4-6-20(13-18)25(3,26)27/h4-10,13,17,32H,11-12,14-15H2,1-3H3,(H,28,33)/t17-/m0/s1.

What are the key properties of 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide?

1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide has a molecular weight of 454.52 g/mol, XLogP of 4.31, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[3-(1,1-difluoroethyl)phenyl]methyl]-6-(hydroxymethyl)-N-[(1S)-1-(4-methylphenyl)ethyl]-2,3-dihydroimidazo[2,1-e]pyrazole-7-carboxamide is sourced from PubChem (CID 145296869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).