2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C22H25N3O2 — CID 72851753

IUPAC2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(CN2CCn3nc(Cc4ccccc4)cc3C2)c(OC)c1
InChIInChI=1S/C22H25N3O2/c1-26-21-9-8-18(22(14-21)27-2)15-24-10-11-25-20(16-24)13-19(23-25)12-17-6-4-3-5-7-17/h3-9,13-14H,10-12,15-16H2,1-2H3
InChIKeySTCLBLLPPFBKEG-UHFFFAOYSA-N
MW363.46 g/mol
LogP3.51
Rot. Bonds6

About 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 72851753) has the molecular formula C22H25N3O2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID72851753
Molecular FormulaC22H25N3O2
Molecular Weight363.46 g/mol
Exact Mass363.19
IUPAC Name2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOc1ccc(CN2CCn3nc(Cc4ccccc4)cc3C2)c(OC)c1
InChIInChI=1S/C22H25N3O2/c1-26-21-9-8-18(22(14-21)27-2)15-24-10-11-25-20(16-24)13-19(23-25)12-17-6-4-3-5-7-17/h3-9,13-14H,10-12,15-16H2,1-2H3
InChIKeySTCLBLLPPFBKEG-UHFFFAOYSA-N
XLogP3.51
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2,4-dimethoxyphenyl)methyl]-4-[(2-methoxyphenyl)methyl]piperazine
CID 1126160
[5-[(2-fluoro-5-methoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methanol
CID 90648502
2-[(2,4-dimethoxyphenyl)methyl]-3,4-dihydro-1H-isoquinoline
CID 791234
1-(1-benzylpiperidin-4-yl)-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 4999960
5-benzyl-2-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 137452745
(4aS,7aR)-1,4-dibenzyl-6-[(2,4-dimethoxyphenyl)methyl]-2,3,4a,5,7,7a-hexahydropyrrolo[3,4-b]pyrazine
CID 156519943
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 72853233
2-methoxy-N-[[5-[(4-methoxy-2,3-dimethylphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 118770602
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
[5-[(4-methoxy-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]-phenylmethanol
CID 91771840
[5-[(2-phenylmethoxyphenyl)methyl]-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-2-yl]methanol
CID 90651735
(2S)-2-benzyl-4-[(2,4-dimethoxyphenyl)methyl]morpholine
CID 29024699

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 72851753) is 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is COc1ccc(CN2CCn3nc(Cc4ccccc4)cc3C2)c(OC)c1.
What is the InChIKey of 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is STCLBLLPPFBKEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2/c1-26-21-9-8-18(22(14-21)27-2)15-24-10-11-25-20(16-24)13-19(23-25)12-17-6-4-3-5-7-17/h3-9,13-14H,10-12,15-16H2,1-2H3.
What are the key properties of 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 363.46 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-[(2,4-dimethoxyphenyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 72851753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).