(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C17H21N3O3 — CID 124796390

IUPAC(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21
InChIInChI=1S/C17H21N3O3/c1-21-7-5-15-11-19(10-14-4-6-18-20(14)15)9-13-2-3-16-17(8-13)23-12-22-16/h2-4,6,8,15H,5,7,9-12H2,1H3/t15-/m1/s1
InChIKeySMVUJALJJLZZEK-OAHLLOKOSA-N
MW315.37 g/mol
LogP2.21
Rot. Bonds5

About (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 124796390) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID124796390
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCOCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21
InChIInChI=1S/C17H21N3O3/c1-21-7-5-15-11-19(10-14-4-6-18-20(14)15)9-13-2-3-16-17(8-13)23-12-22-16/h2-4,6,8,15H,5,7,9-12H2,1H3/t15-/m1/s1
InChIKeySMVUJALJJLZZEK-OAHLLOKOSA-N
XLogP2.21
TPSA48.75 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(1,3-benzodioxol-5-yl)-1-[7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 131642465
N-[2-[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-2-methylpropanamide
CID 124821597
2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-dimethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155847601
N-[[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131678219
N-[2-[5-(1,3-benzodioxol-5-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]cyclopropanecarboxamide
CID 131655421
N-[[(7R)-5-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide
CID 124789770
2-(1,3-benzodioxol-5-yl)-1-[(7S)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124814359
5-(1,3-benzodioxol-5-ylmethyl)-7-pyrimidin-2-yloxy-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine
CID 131661299
(7R)-5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124790479
5-(furan-3-ylmethyl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131652106
N-[[5-(1,3-benzodioxol-5-ylmethyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]-2-methoxyacetamide;2,2,2-trifluoroacetic acid
CID 155834115
(4R)-6-(1,3-benzodioxol-5-ylmethyl)-1-ethyl-4-(methoxymethyl)-5,7-dihydro-4H-pyrazolo[5,4-c]pyridine
CID 97368057

Frequently Asked Questions

What is the IUPAC name of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 124796390) is (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is COCC[C@@H]1CN(Cc2ccc3c(c2)OCO3)Cc2ccnn21.
What is the InChIKey of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is SMVUJALJJLZZEK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-21-7-5-15-11-19(10-14-4-6-18-20(14)15)9-13-2-3-16-17(8-13)23-12-22-16/h2-4,6,8,15H,5,7,9-12H2,1H3/t15-/m1/s1.
What are the key properties of (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
(7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 315.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-5-(1,3-benzodioxol-5-ylmethyl)-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 124796390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).