cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone

C125H126N20O13 — CID 158478376

About cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone

cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone (PubChem CID 158478376) has the molecular formula C125H126N20O13 and a molecular weight of 2116.51 g/mol. Its IUPAC name is cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone.

Molecular Properties

• Compound Name: cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone
• PubChem CID: 158478376
• Molecular Formula: C125H126N20O13
• Molecular Weight: 2116.51 g/mol
• Exact Mass: 2114.98
• IUPAC Name: cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone
• SMILES: Cc1ccc(C(=O)N2CCn3nc(OCc4ccc(CO)cc4)cc3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(OCc4cccc(C)c4)cc3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4C)cc3C2)cc1.O=C(C1=CC=CC1)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(C1=CN=CC1)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(c1c[nH]c2ccccc12)N1CCn2nc(OCc3ccccc3)cc2C1
• InChI: InChI=1S/C22H20N4O2.C22H23N3O3.2C22H23N3O2.C19H19N3O2.C18H18N4O2/c27-22(19-13-23-20-9-5-4-8-18(19)20)25-10-11-26-17(14-25)12-21(24-26)28-15-16-6-2-1-3-7-16;1-16-2-8-19(9-3-16)22(27)24-10-11-25-20(13-24)12-21(23-25)28-15-18-6-4-17(14-26)5-7-18;1-16-6-8-19(9-7-16)22(26)24-10-11-25-20(14-24)13-21(23-25)27-15-18-5-3-4-17(2)12-18;1-16-7-9-18(10-8-16)22(26)24-11-12-25-20(14-24)13-21(23-25)27-15-19-6-4-3-5-17(19)2;23-19(16-8-4-5-9-16)21-10-11-22-17(13-21)12-18(20-22)24-14-15-6-2-1-3-7-15;23-18(15-6-7-19-11-15)21-8-9-22-16(12-21)10-17(20-22)24-13-14-4-2-1-3-5-14/h1-9,12-13,23H,10-11,14-15H2;2-9,12,26H,10-11,13-15H2,1H3;3-9,12-13H,10-11,14-15H2,1-2H3;3-10,13H,11-12,14-15H2,1-2H3;1-8,12H,9-11,13-14H2;1-5,7,10-11H,6,8-9,12-13H2
• InChIKey: HHFITULXFYCJSU-UHFFFAOYSA-N
• XLogP: 18.84
• TPSA: 332.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 26
• Rotatable Bonds: 25
• Heavy Atoms: 158
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2116.51
LogP ≤ 5	18.84
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone?

The IUPAC name of cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone (CID 158478376) is cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone.

What is the SMILES notation for cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone?

The canonical SMILES for cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone is Cc1ccc(C(=O)N2CCn3nc(OCc4ccc(CO)cc4)cc3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(OCc4cccc(C)c4)cc3C2)cc1.Cc1ccc(C(=O)N2CCn3nc(OCc4ccccc4C)cc3C2)cc1.O=C(C1=CC=CC1)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(C1=CN=CC1)N1CCn2nc(OCc3ccccc3)cc2C1.O=C(c1c[nH]c2ccccc12)N1CCn2nc(OCc3ccccc3)cc2C1.

What is the InChIKey of cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone?

The InChIKey is HHFITULXFYCJSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N4O2.C22H23N3O3.2C22H23N3O2.C19H19N3O2.C18H18N4O2/c27-22(19-13-23-20-9-5-4-8-18(19)20)25-10-11-26-17(14-25)12-21(24-26)28-15-16-6-2-1-3-7-16;1-16-2-8-19(9-3-16)22(27)24-10-11-25-20(13-24)12-21(23-25)28-15-18-6-4-17(14-26)5-7-18;1-16-6-8-19(9-7-16)22(26)24-10-11-25-20(14-24)13-21(23-25)27-15-18-5-3-4-17(2)12-18;1-16-7-9-18(10-8-16)22(26)24-11-12-25-20(14-24)13-21(23-25)27-15-19-6-4-3-5-17(19)2;23-19(16-8-4-5-9-16)21-10-11-22-17(13-21)12-18(20-22)24-14-15-6-2-1-3-7-15;23-18(15-6-7-19-11-15)21-8-9-22-16(12-21)10-17(20-22)24-13-14-4-2-1-3-5-14/h1-9,12-13,23H,10-11,14-15H2;2-9,12,26H,10-11,13-15H2,1H3;3-9,12-13H,10-11,14-15H2,1-2H3;3-10,13H,11-12,14-15H2,1-2H3;1-8,12H,9-11,13-14H2;1-5,7,10-11H,6,8-9,12-13H2.

What are the key properties of cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone?

cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone has a molecular weight of 2116.51 g/mol, XLogP of 18.84, 25 rotatable bonds, 2 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for cyclopenta-1,3-dien-1-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;[2-[[4-(hydroxymethyl)phenyl]methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;1H-indol-3-yl-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone;(4-methylphenyl)-[2-[(2-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-methylphenyl)-[2-[(3-methylphenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(3H-pyrrol-4-yl)methanone is sourced from PubChem (CID 158478376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).