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

C22H23N3O2 — CID 74233678

IUPAC(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-27-21-10-8-18(9-11-21)22(26)24-12-13-25-20(16-24)15-19(23-25)14-17-6-4-3-5-7-17/h3-11,15H,2,12-14,16H2,1H3
InChIKeyOBJIUFDQVDOVNK-UHFFFAOYSA-N
MW361.45 g/mol
LogP3.53
Rot. Bonds5

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

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone (PubChem CID 74233678) has the molecular formula C22H23N3O2 and a molecular weight of 361.45 g/mol. Its IUPAC name is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
PubChem CID74233678
Molecular FormulaC22H23N3O2
Molecular Weight361.45 g/mol
Exact Mass361.18
IUPAC Name(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone
SMILESCCOc1ccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)cc1
InChIInChI=1S/C22H23N3O2/c1-2-27-21-10-8-18(9-11-21)22(26)24-12-13-25-20(16-24)15-19(23-25)14-17-6-4-3-5-7-17/h3-11,15H,2,12-14,16H2,1H3
InChIKeyOBJIUFDQVDOVNK-UHFFFAOYSA-N
XLogP3.53
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.45
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-hydroxy-3-methoxyphenyl)methanone
CID 72853233
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(1-benzylpyrazol-4-yl)methanone
CID 74243991
2-[[(4-ethoxybenzoyl)amino]methyl]-N,N-dimethyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-carboxamide
CID 70713260
aziridin-1-yl-(4-ethoxyphenyl)methanone
CID 121216936
ethane;(6-methyl-3-pyridinyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 144757774
(3-fluoro-4-methylphenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 118065760
1-[4-(4-ethoxybenzoyl)-1,4-diazepan-1-yl]-2-phenylethanone
CID 110808271
(2-fluorophenyl)-[2-(phenoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 57387630
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-[5-(tetrazol-1-yl)-1H-pyrazol-4-yl]methanone
CID 72859321
N-[[5-[4-(3-methylphenoxy)benzoyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl]methyl]acetamide
CID 121496818
(4-fluorophenyl)-(2-phenylmethoxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-5-yl)methanone
CID 86706495
(3-fluorophenyl)-(2-phenylmethoxy-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)methanone
CID 72703213

Frequently Asked Questions

What is the IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone?
The IUPAC name of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone (CID 74233678) is (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone.
What is the SMILES notation for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone?
The canonical SMILES for (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone is CCOc1ccc(C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)cc1.
What is the InChIKey of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone?
The InChIKey is OBJIUFDQVDOVNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O2/c1-2-27-21-10-8-18(9-11-21)22(26)24-12-13-25-20(16-24)15-19(23-25)14-17-6-4-3-5-7-17/h3-11,15H,2,12-14,16H2,1H3.
What are the key properties of (2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone?
(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-(4-ethoxyphenyl)methanone has a molecular weight of 361.45 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 4 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-ethoxyphenyl)methanone is sourced from PubChem (CID 74233678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).