[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone

C16H22N6O — CID 133140812

IUPAC[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCN(CC)CC1CN(C(=O)c2ccncn2)Cc2ccnn21
InChIInChI=1S/C16H22N6O/c1-3-20(4-2)9-14-11-21(10-13-5-8-19-22(13)14)16(23)15-6-7-17-12-18-15/h5-8,12,14H,3-4,9-11H2,1-2H3
InChIKeyKPAOFMMLOAGYLB-UHFFFAOYSA-N
MW314.39 g/mol
LogP1.21
Rot. Bonds5

About [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone

[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone (PubChem CID 133140812) has the molecular formula C16H22N6O and a molecular weight of 314.39 g/mol. Its IUPAC name is [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone.

Molecular Properties

Compound Name[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone
PubChem CID133140812
Molecular FormulaC16H22N6O
Molecular Weight314.39 g/mol
Exact Mass314.19
IUPAC Name[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone
SMILESCCN(CC)CC1CN(C(=O)c2ccncn2)Cc2ccnn21
InChIInChI=1S/C16H22N6O/c1-3-20(4-2)9-14-11-21(10-13-5-8-19-22(13)14)16(23)15-6-7-17-12-18-15/h5-8,12,14H,3-4,9-11H2,1-2H3
InChIKeyKPAOFMMLOAGYLB-UHFFFAOYSA-N
XLogP1.21
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 131640417
N-ethyl-N-[[(7R)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanamine
CID 124813468
N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
CID 131651973
[(7R)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-quinolin-2-ylmethanone
CID 124819603
N-methyl-2-[5-(pyrazine-2-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131693758
(3-ethoxythiophen-2-yl)-[7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133139940
N-[[5-(6-methylpyridine-3-carbonyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 133142949
[2-ethyl-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]-pyrimidin-4-ylmethanone
CID 134070162
1-[7-[2-(diethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-2-thiophen-2-ylethanone;2,2,2-trifluoroacetic acid
CID 155862663
(6-chloroimidazo[1,2-a]pyridin-2-yl)-[7-[2-(dimethylamino)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133140523
(6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 131652972
pyrazin-2-yl-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861062

Frequently Asked Questions

What is the IUPAC name of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone?
The IUPAC name of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone (CID 133140812) is [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone.
What is the SMILES notation for [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone?
The canonical SMILES for [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone is CCN(CC)CC1CN(C(=O)c2ccncn2)Cc2ccnn21.
What is the InChIKey of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone?
The InChIKey is KPAOFMMLOAGYLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N6O/c1-3-20(4-2)9-14-11-21(10-13-5-8-19-22(13)14)16(23)15-6-7-17-12-18-15/h5-8,12,14H,3-4,9-11H2,1-2H3.
What are the key properties of [7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone?
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone has a molecular weight of 314.39 g/mol, XLogP of 1.21, 5 rotatable bonds, 0 hydrogen bond donors, and 6 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]-pyrimidin-4-ylmethanone is sourced from PubChem (CID 133140812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).