1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one

C21H25N5O — CID 74230937

IUPAC1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(C)C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1
InChIInChI=1S/C21H25N5O/c1-15-11-16(2)26(22-15)17(3)21(27)24-9-10-25-20(14-24)13-19(23-25)12-18-7-5-4-6-8-18/h4-8,11,13,17H,9-10,12,14H2,1-3H3
InChIKeyDOIXDHYTHBZUGG-UHFFFAOYSA-N
MW363.47 g/mol
LogP2.89
Rot. Bonds4

About 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one

1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one (PubChem CID 74230937) has the molecular formula C21H25N5O and a molecular weight of 363.47 g/mol. Its IUPAC name is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
PubChem CID74230937
Molecular FormulaC21H25N5O
Molecular Weight363.47 g/mol
Exact Mass363.21
IUPAC Name1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one
SMILESCc1cc(C)n(C(C)C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1
InChIInChI=1S/C21H25N5O/c1-15-11-16(2)26(22-15)17(3)21(27)24-9-10-25-20(14-24)13-19(23-25)12-18-7-5-4-6-8-18/h4-8,11,13,17H,9-10,12,14H2,1-3H3
InChIKeyDOIXDHYTHBZUGG-UHFFFAOYSA-N
XLogP2.89
TPSA55.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.47
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The IUPAC name of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one (CID 74230937) is 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one.
What is the SMILES notation for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The canonical SMILES for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one is Cc1cc(C)n(C(C)C(=O)N2CCn3nc(Cc4ccccc4)cc3C2)n1.
What is the InChIKey of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
The InChIKey is DOIXDHYTHBZUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O/c1-15-11-16(2)26(22-15)17(3)21(27)24-9-10-25-20(14-24)13-19(23-25)12-18-7-5-4-6-8-18/h4-8,11,13,17H,9-10,12,14H2,1-3H3.
What are the key properties of 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one?
1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one has a molecular weight of 363.47 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-benzyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl)-2-(3,5-dimethylpyrazol-1-yl)propan-1-one is sourced from PubChem (CID 74230937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).