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

C23H25N3O2 — CID 71038215

IUPAC[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)(C)C2)cc1
InChIInChI=1S/C23H25N3O2/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/h4-13H,14-16H2,1-3H3
InChIKeyFMUVTALIDLDZBP-UHFFFAOYSA-N
MW375.47 g/mol
LogP4.16
Rot. Bonds4

About [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[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 (PubChem CID 71038215) has the molecular formula C23H25N3O2 and a molecular weight of 375.47 g/mol. Its IUPAC name is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[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
PubChem CID71038215
Molecular FormulaC23H25N3O2
Molecular Weight375.47 g/mol
Exact Mass375.19
IUPAC Name[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
SMILESCc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)(C)C2)cc1
InChIInChI=1S/C23H25N3O2/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/h4-13H,14-16H2,1-3H3
InChIKeyFMUVTALIDLDZBP-UHFFFAOYSA-N
XLogP4.16
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.47
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone
CID 67968111
[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
[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
1-[4-(4-methylbenzoyl)-1,4-diazepan-1-yl]-3-phenoxypropan-1-one
CID 110798285
2-[(3R)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]acetamide
CID 125024237
[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
CID 71038235
(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387630
2-[(3S)-1-(4-methylbenzoyl)-3-(phenoxymethyl)piperidin-3-yl]-1-(4-methylpiperazin-1-yl)ethanone
CID 125017426
[2-[(2-fluorophenyl)methoxy]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
CID 118065770
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
CID 74233678
1-(4-benzoylpiperazin-1-yl)-2-[2-[(4-methylphenoxy)methyl]-1,3-thiazol-4-yl]ethanone
CID 31189065
[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]piperazin-1-yl]-(4-methylphenyl)methanone
CID 39566022

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?
The IUPAC name of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone (CID 71038215) is [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[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?
The canonical SMILES for [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone is Cc1ccc(C(=O)N2Cc3cc(COc4ccccc4)nn3C(C)(C)C2)cc1.
What is the InChIKey of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone?
The InChIKey is FMUVTALIDLDZBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O2/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/h4-13H,14-16H2,1-3H3.
What are the key properties of [7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[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 has a molecular weight of 375.47 g/mol, XLogP of 4.16, 4 rotatable bonds, 0 hydrogen bond donors, and 4 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 is sourced from PubChem (CID 71038215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).