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

C85H82F4N12O8 — CID 161155432

IUPAC[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.CC1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1.CC1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2.3C21H20FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20;1-15-12-25-19(11-18(23-25)14-27-20-5-3-2-4-6-20)13-24(15)21(26)16-7-9-17(22)10-8-16;1-15-12-24(21(26)16-7-9-17(22)10-8-16)13-19-11-18(23-25(15)19)14-27-20-5-3-2-4-6-20;1-15-20-13-18(14-27-19-5-3-2-4-6-19)23-25(20)12-11-24(15)21(26)16-7-9-17(22)10-8-16/h3-12H,13-15H2,1-2H3;2*2-11,15H,12-14H2,1H3;2-10,13,15H,11-12,14H2,1H3
InChIKeyUPFRRLOJJJZGMT-UHFFFAOYSA-N
MW1475.66 g/mol
LogP15.27
Rot. Bonds16

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

[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (PubChem CID 161155432) has the molecular formula C85H82F4N12O8 and a molecular weight of 1475.66 g/mol. Its IUPAC name is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.

Molecular Properties

Compound Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
PubChem CID161155432
Molecular FormulaC85H82F4N12O8
Molecular Weight1475.66 g/mol
Exact Mass1474.63
IUPAC Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
SMILESCC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.CC1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1.CC1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1
InChIInChI=1S/C22H22FN3O2.3C21H20FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20;1-15-12-25-19(11-18(23-25)14-27-20-5-3-2-4-6-20)13-24(15)21(26)16-7-9-17(22)10-8-16;1-15-12-24(21(26)16-7-9-17(22)10-8-16)13-19-11-18(23-25(15)19)14-27-20-5-3-2-4-6-20;1-15-20-13-18(14-27-19-5-3-2-4-6-19)23-25(20)12-11-24(15)21(26)16-7-9-17(22)10-8-16/h3-12H,13-15H2,1-2H3;2*2-11,15H,12-14H2,1H3;2-10,13,15H,11-12,14H2,1H3
InChIKeyUPFRRLOJJJZGMT-UHFFFAOYSA-N
XLogP15.27
TPSA189.44 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds16
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001475.66
LogP ≤ 515.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]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-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The IUPAC name of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone (CID 161155432) is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone.
What is the SMILES notation for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The canonical SMILES for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is CC1(C)CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.CC1CN(C(=O)c2ccc(F)cc2)Cc2cc(COc3ccccc3)nn21.CC1Cn2nc(COc3ccccc3)cc2CN1C(=O)c1ccc(F)cc1.CC1c2cc(COc3ccccc3)nn2CCN1C(=O)c1ccc(F)cc1.
What is the InChIKey of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
The InChIKey is UPFRRLOJJJZGMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN3O2.3C21H20FN3O2/c1-22(2)15-25(21(27)16-8-10-17(23)11-9-16)13-19-12-18(24-26(19)22)14-28-20-6-4-3-5-7-20;1-15-12-25-19(11-18(23-25)14-27-20-5-3-2-4-6-20)13-24(15)21(26)16-7-9-17(22)10-8-16;1-15-12-24(21(26)16-7-9-17(22)10-8-16)13-19-11-18(23-25(15)19)14-27-20-5-3-2-4-6-20;1-15-20-13-18(14-27-19-5-3-2-4-6-19)23-25(20)12-11-24(15)21(26)16-7-9-17(22)10-8-16/h3-12H,13-15H2,1-2H3;2*2-11,15H,12-14H2,1H3;2-10,13,15H,11-12,14H2,1H3.
What are the key properties of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone?
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone has a molecular weight of 1475.66 g/mol, XLogP of 15.27, 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-fluorophenyl)methanone;(4-fluorophenyl)-[4-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;(4-fluorophenyl)-[7-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone is sourced from PubChem (CID 161155432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).