[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone

C22H23N3O2 — CID 71038235

IUPAC[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)c1
InChIInChI=1S/C22H23N3O2/c1-16-7-6-8-18(11-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-9-4-3-5-10-21/h3-12,17H,13-15H2,1-2H3
InChIKeyAZVGJUOVIGYVPS-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.82
Rot. Bonds4

About [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone

[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone (PubChem CID 71038235) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone.

Molecular Properties

Compound Name[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
PubChem CID71038235
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone
SMILESCc1cccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)c1
InChIInChI=1S/C22H23N3O2/c1-16-7-6-8-18(11-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-9-4-3-5-10-21/h3-12,17H,13-15H2,1-2H3
InChIKeyAZVGJUOVIGYVPS-UHFFFAOYSA-N
XLogP3.82
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.82
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-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
3-amino-1-[(6R)-2-(hydroxymethyl)-6-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]propan-1-one
CID 129498999
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-methylphenyl)methanone
CID 71038215
(3-methylphenyl)-[3-[5-(phenoxymethyl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]methanone
CID 91907894
[(2R,5R)-2,5-dimethylmorpholin-4-yl]-[3-[(2-methyl-1,3-thiazol-4-yl)methoxy]phenyl]methanone
CID 94051440
3-methyl-1-(3-methylbenzoyl)pyrrolidine-2-carboxylic acid
CID 102775649
(2S,4S)-1-(3-methylbenzoyl)-4-pyridin-3-yloxypyrrolidine-2-carboxamide
CID 110199060
[1-(3-methylbenzoyl)pyrrolidin-2-yl]-phenylmethanone
CID 110357636
(3-fluoro-5-methyl-2-pyridinyl)-[2-[(3-fluorophenoxy)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 71038225
1-(3-methylphenyl)-3-phenoxypropan-1-one
CID 60798241
[7,7-dimethyl-2-(phenoxymethyl)-4,6-dihydropyrazolo[1,5-a]pyrazin-5-yl]-(4-fluorophenyl)methanone
CID 67968111

Frequently Asked Questions

What is the IUPAC name of [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone?
The IUPAC name of [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone (CID 71038235) is [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone.
What is the SMILES notation for [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone?
The canonical SMILES for [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone is Cc1cccc(C(=O)N2Cc3cc(COc4ccccc4)nn3CC2C)c1.
What is the InChIKey of [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone?
The InChIKey is AZVGJUOVIGYVPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-16-7-6-8-18(11-16)22(26)24-14-20-12-19(23-25(20)13-17(24)2)15-27-21-9-4-3-5-10-21/h3-12,17H,13-15H2,1-2H3.
What are the key properties of [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone?
[6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.82, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [6-methyl-2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(3-methylphenyl)methanone is sourced from PubChem (CID 71038235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).