[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone

C19H27N5O — CID 131640417

IUPAC[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCCN(CC)CC1CN(C(=O)c2cc(C)nc(C)c2)Cc2ccnn21
InChIInChI=1S/C19H27N5O/c1-5-22(6-2)11-18-13-23(12-17-7-8-20-24(17)18)19(25)16-9-14(3)21-15(4)10-16/h7-10,18H,5-6,11-13H2,1-4H3
InChIKeyQOIMIYUCIXQVSR-UHFFFAOYSA-N
MW341.46 g/mol
LogP2.43
Rot. Bonds5

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

[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone (PubChem CID 131640417) has the molecular formula C19H27N5O and a molecular weight of 341.46 g/mol. Its IUPAC name is [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone.

Molecular Properties

Compound Name[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
PubChem CID131640417
Molecular FormulaC19H27N5O
Molecular Weight341.46 g/mol
Exact Mass341.22
IUPAC Name[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
SMILESCCN(CC)CC1CN(C(=O)c2cc(C)nc(C)c2)Cc2ccnn21
InChIInChI=1S/C19H27N5O/c1-5-22(6-2)11-18-13-23(12-17-7-8-20-24(17)18)19(25)16-9-14(3)21-15(4)10-16/h7-10,18H,5-6,11-13H2,1-4H3
InChIKeyQOIMIYUCIXQVSR-UHFFFAOYSA-N
XLogP2.43
TPSA54.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The IUPAC name of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone (CID 131640417) is [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone.
What is the SMILES notation for [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The canonical SMILES for [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone is CCN(CC)CC1CN(C(=O)c2cc(C)nc(C)c2)Cc2ccnn21.
What is the InChIKey of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
The InChIKey is QOIMIYUCIXQVSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N5O/c1-5-22(6-2)11-18-13-23(12-17-7-8-20-24(17)18)19(25)16-9-14(3)21-15(4)10-16/h7-10,18H,5-6,11-13H2,1-4H3.
What are the key properties of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone?
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone has a molecular weight of 341.46 g/mol, XLogP of 2.43, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone is sourced from PubChem (CID 131640417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).