(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone

C21H21N3O3 — CID 72853233

IUPAC(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)ccc1O
InChIInChI=1S/C21H21N3O3/c1-27-20-12-16(7-8-19(20)25)21(26)23-9-10-24-18(14-23)13-17(22-24)11-15-5-3-2-4-6-15/h2-8,12-13,25H,9-11,14H2,1H3
InChIKeyFGDXMCKSTGZLTA-UHFFFAOYSA-N
MW363.42 g/mol
LogP2.84
Rot. Bonds4

About (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone (PubChem CID 72853233) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
PubChem CID72853233
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
SMILESCOc1cc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)ccc1O
InChIInChI=1S/C21H21N3O3/c1-27-20-12-16(7-8-19(20)25)21(26)23-9-10-24-18(14-23)13-17(22-24)11-15-5-3-2-4-6-15/h2-8,12-13,25H,9-11,14H2,1H3
InChIKeyFGDXMCKSTGZLTA-UHFFFAOYSA-N
XLogP2.84
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
CID 74233678
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
CID 74243991
(3-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065760
ethane;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 144757774
4-hydroxy-3-methoxybenzoic acid;(4-hydroxy-3-methoxyphenyl)-(4-methylpiperazin-1-yl)methanone
CID 158397827
(3-fluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703213
(4-hydroxy-3-methoxyphenyl)-[3-(2-phenylethyl)-5,6,8,9-tetrahydro-[1,2,4]triazolo[4,3-d][1,4]diazepin-7-yl]methanone
CID 56723476
3-[5-(2,4-dimethoxybenzoyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]propanoic acid
CID 56888003
1-[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-2-phenylethanone
CID 650859
1-(4-hydroxy-3-methoxybenzoyl)piperidine-4-carboxylic acid
CID 110465982
[4-(3,4-dimethoxybenzoyl)piperazin-1-yl]-phenylmethanone
CID 1074740
2-[(1S,4R)-2-azabicyclo[2.2.1]heptan-2-yl]-1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)ethanone
CID 74245060

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone (CID 72853233) is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone is COc1cc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)ccc1O.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
The InChIKey is FGDXMCKSTGZLTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-27-20-12-16(7-8-19(20)25)21(26)23-9-10-24-18(14-23)13-17(22-24)11-15-5-3-2-4-6-15/h2-8,12-13,25H,9-11,14H2,1H3.
What are the key properties of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone?
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone has a molecular weight of 363.42 g/mol, XLogP of 2.84, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone is sourced from PubChem (CID 72853233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).