N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

C19H24F3N5O2 — CID 91909682

IUPACN-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCC1Cn2cccc2C(=O)N1CC(C)C
InChIInChI=1S/C19H24F3N5O2/c1-12(2)9-26-14(10-25-6-4-5-15(25)18(26)29)8-23-17(28)11-27-13(3)7-16(24-27)19(20,21)22/h4-7,12,14H,8-11H2,1-3H3,(H,23,28)
InChIKeyJQNONFJVBSVIDV-UHFFFAOYSA-N
MW411.43 g/mol
LogP2.31
Rot. Bonds6

About N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide

N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (PubChem CID 91909682) has the molecular formula C19H24F3N5O2 and a molecular weight of 411.43 g/mol. Its IUPAC name is N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.

Molecular Properties

Compound NameN-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
PubChem CID91909682
Molecular FormulaC19H24F3N5O2
Molecular Weight411.43 g/mol
Exact Mass411.19
IUPAC NameN-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide
SMILESCc1cc(C(F)(F)F)nn1CC(=O)NCC1Cn2cccc2C(=O)N1CC(C)C
InChIInChI=1S/C19H24F3N5O2/c1-12(2)9-26-14(10-25-6-4-5-15(25)18(26)29)8-23-17(28)11-27-13(3)7-16(24-27)19(20,21)22/h4-7,12,14H,8-11H2,1-3H3,(H,23,28)
InChIKeyJQNONFJVBSVIDV-UHFFFAOYSA-N
XLogP2.31
TPSA72.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.43
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The IUPAC name of N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide (CID 91909682) is N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide.
What is the SMILES notation for N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The canonical SMILES for N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is Cc1cc(C(F)(F)F)nn1CC(=O)NCC1Cn2cccc2C(=O)N1CC(C)C.
What is the InChIKey of N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
The InChIKey is JQNONFJVBSVIDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24F3N5O2/c1-12(2)9-26-14(10-25-6-4-5-15(25)18(26)29)8-23-17(28)11-27-13(3)7-16(24-27)19(20,21)22/h4-7,12,14H,8-11H2,1-3H3,(H,23,28).
What are the key properties of N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide?
N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide has a molecular weight of 411.43 g/mol, XLogP of 2.31, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(2-methylpropyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]-2-[5-methyl-3-(trifluoromethyl)pyrazol-1-yl]acetamide is sourced from PubChem (CID 91909682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).