(4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

C149H149Cl2F5N24O15 — CID 158212773

About (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one

(4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (PubChem CID 158212773) has the molecular formula C149H149Cl2F5N24O15 and a molecular weight of 2681.88 g/mol. Its IUPAC name is (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.

Molecular Properties

• Compound Name: (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
• PubChem CID: 158212773
• Molecular Formula: C149H149Cl2F5N24O15
• Molecular Weight: 2681.88 g/mol
• Exact Mass: 2679.09
• IUPAC Name: (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one
• SMILES: CC(F)(F)c1ccccc1C(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CN(C)c1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)n1.CO[C@](C(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F.Cc1cc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)ccc1Cl.Cc1ccc(C(=O)N2CCCn3nc(OCc4ccccc4)cc3C2)n1C.Cc1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)c1.O=C(c1ccccc1Cl)N1CCn2nc(OCc3ccccc3)cc2C1
• InChI: InChI=1S/C23H22F3N3O3.C22H21F2N3O2.C21H20ClN3O2.C21H23N5O2.C21H24N4O2.C21H21N3O2.C20H18ClN3O2/c1-31-22(23(24,25)26,18-10-6-3-7-11-18)21(30)28-12-13-29-19(15-28)14-20(27-29)32-16-17-8-4-2-5-9-17;1-22(23,24)19-10-6-5-9-18(19)21(28)26-11-12-27-17(14-26)13-20(25-27)29-15-16-7-3-2-4-8-16;1-15-11-17(7-8-19(15)22)21(26)24-9-10-25-18(13-24)12-20(23-25)27-14-16-5-3-2-4-6-16;1-24(2)19-10-6-9-18(22-19)21(27)25-11-12-26-17(14-25)13-20(23-26)28-15-16-7-4-3-5-8-16;1-16-9-10-19(23(16)2)21(26)24-11-6-12-25-18(14-24)13-20(22-25)27-15-17-7-4-3-5-8-17;1-16-6-5-9-18(12-16)21(25)23-10-11-24-19(14-23)13-20(22-24)26-15-17-7-3-2-4-8-17;21-18-9-5-4-8-17(18)20(25)23-10-11-24-16(13-23)12-19(22-24)26-14-15-6-2-1-3-7-15/h2-11,14H,12-13,15-16H2,1H3;2-10,13H,11-12,14-15H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;3-10,13H,11-12,14-15H2,1-2H3;3-5,7-10,13H,6,11-12,14-15H2,1-2H3;2-9,12-13H,10-11,14-15H2,1H3;1-9,12H,10-11,13-14H2/t22-;;;;;;/m0....../s1
• InChIKey: GCGVLSUOWLEVTD-JMCKARTDSA-N
• XLogP: 25.15
• TPSA: 361.81 Ų
• H-Bond Acceptors: 32
• Rotatable Bonds: 32
• Heavy Atoms: 195
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2681.88
LogP ≤ 5	25.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?

The IUPAC name of (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one (CID 158212773) is (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one.

What is the SMILES notation for (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?

The canonical SMILES for (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is CC(F)(F)c1ccccc1C(=O)N1CCn2nc(OCc3ccccc3)cc2C1.CN(C)c1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)n1.CO[C@](C(=O)N1CCn2nc(OCc3ccccc3)cc2C1)(c1ccccc1)C(F)(F)F.Cc1cc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)ccc1Cl.Cc1ccc(C(=O)N2CCCn3nc(OCc4ccccc4)cc3C2)n1C.Cc1cccc(C(=O)N2CCn3nc(OCc4ccccc4)cc3C2)c1.O=C(c1ccccc1Cl)N1CCn2nc(OCc3ccccc3)cc2C1.

What is the InChIKey of (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?

The InChIKey is GCGVLSUOWLEVTD-JMCKARTDSA-N. The full InChI is InChI=1S/C23H22F3N3O3.C22H21F2N3O2.C21H20ClN3O2.C21H23N5O2.C21H24N4O2.C21H21N3O2.C20H18ClN3O2/c1-31-22(23(24,25)26,18-10-6-3-7-11-18)21(30)28-12-13-29-19(15-28)14-20(27-29)32-16-17-8-4-2-5-9-17;1-22(23,24)19-10-6-5-9-18(19)21(28)26-11-12-27-17(14-26)13-20(25-27)29-15-16-7-3-2-4-8-16;1-15-11-17(7-8-19(15)22)21(26)24-9-10-25-18(13-24)12-20(23-25)27-14-16-5-3-2-4-6-16;1-24(2)19-10-6-9-18(22-19)21(27)25-11-12-26-17(14-25)13-20(23-26)28-15-16-7-4-3-5-8-16;1-16-9-10-19(23(16)2)21(26)24-11-6-12-25-18(14-24)13-20(22-25)27-15-17-7-4-3-5-8-17;1-16-6-5-9-18(12-16)21(25)23-10-11-24-19(14-23)13-20(22-24)26-15-17-7-3-2-4-8-17;21-18-9-5-4-8-17(18)20(25)23-10-11-24-16(13-23)12-19(22-24)26-14-15-6-2-1-3-7-15/h2-11,14H,12-13,15-16H2,1H3;2-10,13H,11-12,14-15H2,1H3;2-8,11-12H,9-10,13-14H2,1H3;3-10,13H,11-12,14-15H2,1-2H3;3-5,7-10,13H,6,11-12,14-15H2,1-2H3;2-9,12-13H,10-11,14-15H2,1H3;1-9,12H,10-11,13-14H2/t22-;;;;;;/m0....../s1.

What are the key properties of (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one?

(4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one has a molecular weight of 2681.88 g/mol, XLogP of 25.15, 32 rotatable bonds, 0 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for (4-chloro-3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2-chlorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-(1,1-difluoroethyl)phenyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[6-(dimethylamino)-2-pyridinyl]-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(1,5-dimethylpyrrol-2-yl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone;(3-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(2S)-3,3,3-trifluoro-2-methoxy-2-phenyl-1-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)propan-1-one is sourced from PubChem (CID 158212773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).