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

C21H23N3O4 — CID 90648536

IUPAC[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1cc(COc2ccccc2)oc1C(=O)N1CCn2nc(C(C)O)cc2C1
InChIInChI=1S/C21H23N3O4/c1-14-10-18(13-27-17-6-4-3-5-7-17)28-20(14)21(26)23-8-9-24-16(12-23)11-19(22-24)15(2)25/h3-7,10-11,15,25H,8-9,12-13H2,1-2H3
InChIKeyFYDPRQUZHUUMQZ-UHFFFAOYSA-N
MW381.43 g/mol
LogP3.07
Rot. Bonds5

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

[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone (PubChem CID 90648536) has the molecular formula C21H23N3O4 and a molecular weight of 381.43 g/mol. Its IUPAC name is [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone.

Molecular Properties

Compound Name[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
PubChem CID90648536
Molecular FormulaC21H23N3O4
Molecular Weight381.43 g/mol
Exact Mass381.17
IUPAC Name[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
SMILESCc1cc(COc2ccccc2)oc1C(=O)N1CCn2nc(C(C)O)cc2C1
InChIInChI=1S/C21H23N3O4/c1-14-10-18(13-27-17-6-4-3-5-7-17)28-20(14)21(26)23-8-9-24-16(12-23)11-19(22-24)15(2)25/h3-7,10-11,15,25H,8-9,12-13H2,1-2H3
InChIKeyFYDPRQUZHUUMQZ-UHFFFAOYSA-N
XLogP3.07
TPSA80.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(8-methyl-3,4,6,7,9,9a-hexahydro-1H-pyrazino[1,2-a]pyrazin-2-yl)-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 91797813
[(3S,4S)-3-ethoxy-4-hydroxypyrrolidin-1-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone
CID 91760512
(2S,4S)-4-amino-N-methyl-1-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]pyrrolidine-2-carboxamide
CID 56719092
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(4-methyl-1,3-thiazol-5-yl)propan-1-one
CID 91775333
(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387630
(6R)-5-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylic acid
CID 97278790
2-[(2-ethyl-6-methyl-3-pyridinyl)oxy]-1-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 99998762
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(1-hydroxy-2-phenylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 90653351
1-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-3-(2-methylindol-1-yl)propan-1-one
CID 91828367
(4-chloro-1-methylpyrazol-3-yl)-[2-[(1S)-1-hydroxyethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 99998296
(3aR,7aR)-2-[3-methyl-5-(phenoxymethyl)furan-2-carbonyl]-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylic acid
CID 137340489
9-hydroxy-3-[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carbonyl]pyrido[1,2-a]pyrimidin-4-one
CID 91775659

Frequently Asked Questions

What is the IUPAC name of [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The IUPAC name of [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone (CID 90648536) is [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone.
What is the SMILES notation for [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The canonical SMILES for [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone is Cc1cc(COc2ccccc2)oc1C(=O)N1CCn2nc(C(C)O)cc2C1.
What is the InChIKey of [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
The InChIKey is FYDPRQUZHUUMQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O4/c1-14-10-18(13-27-17-6-4-3-5-7-17)28-20(14)21(26)23-8-9-24-16(12-23)11-19(22-24)15(2)25/h3-7,10-11,15,25H,8-9,12-13H2,1-2H3.
What are the key properties of [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone?
[2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone has a molecular weight of 381.43 g/mol, XLogP of 3.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-hydroxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-[3-methyl-5-(phenoxymethyl)furan-2-yl]methanone is sourced from PubChem (CID 90648536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).