[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone

C89H94N12O8 — CID 161148327

IUPAC[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2C)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)(C)C2)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)C2)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)cc1
InChIInChI=1S/C23H25N3O2.3C22H23N3O2/c1-17-9-11-18(12-10-17)22(27)25-14-20-13-19(24-26(20)23(2,3)16-25)15-28-21-7-5-4-6-8-21;1-16-8-10-18(11-9-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-13-17(2)25-20(14-24)12-19(23-25)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-12-13-25-21(17(24)2)14-19(23-25)15-27-20-6-4-3-5-7-20/h4-13H,14-16H2,1-3H3;2*3-12,17H,13-15H2,1-2H3;3-11,14,17H,12-13,15H2,1-2H3
InChIKeyUOISOIJWPKYHTC-UHFFFAOYSA-N
MW1459.81 g/mol
LogP15.95
Rot. Bonds16

About [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone

[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone (PubChem CID 161148327) has the molecular formula C89H94N12O8 and a molecular weight of 1459.81 g/mol. Its IUPAC name is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone.

Molecular Properties

Compound Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
PubChem CID161148327
Molecular FormulaC89H94N12O8
Molecular Weight1459.81 g/mol
Exact Mass1458.73
IUPAC Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2C)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)(C)C2)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)C2)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)cc1
InChIInChI=1S/C23H25N3O2.3C22H23N3O2/c1-17-9-11-18(12-10-17)22(27)25-14-20-13-19(24-26(20)23(2,3)16-25)15-28-21-7-5-4-6-8-21;1-16-8-10-18(11-9-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-13-17(2)25-20(14-24)12-19(23-25)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-12-13-25-21(17(24)2)14-19(23-25)15-27-20-6-4-3-5-7-20/h4-13H,14-16H2,1-3H3;2*3-12,17H,13-15H2,1-2H3;3-11,14,17H,12-13,15H2,1-2H3
InChIKeyUOISOIJWPKYHTC-UHFFFAOYSA-N
XLogP15.95
TPSA189.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001459.81
LogP ≤ 515.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone with MolForge

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Frequently Asked Questions

What is the IUPAC name of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The IUPAC name of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone (CID 161148327) is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone.
What is the SMILES notation for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The canonical SMILES for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2CCn3nc(COc4ccccc4)cc3C2C)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)(C)C2)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)C2)cc1.Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)cc1.
What is the InChIKey of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The InChIKey is UOISOIJWPKYHTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2.3C22H23N3O2/c1-17-9-11-18(12-10-17)22(27)25-14-20-13-19(24-26(20)23(2,3)16-25)15-28-21-7-5-4-6-8-21;1-16-8-10-18(11-9-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-13-17(2)25-20(14-24)12-19(23-25)15-27-21-6-4-3-5-7-21;1-16-8-10-18(11-9-16)22(26)24-12-13-25-21(17(24)2)14-19(23-25)15-27-20-6-4-3-5-7-20/h4-13H,14-16H2,1-3H3;2*3-12,17H,13-15H2,1-2H3;3-11,14,17H,12-13,15H2,1-2H3.
What are the key properties of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone has a molecular weight of 1459.81 g/mol, XLogP of 15.95, 16 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone;[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone is sourced from PubChem (CID 161148327), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).