N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine

C15H22N6 — CID 131651973

IUPACN-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
SMILESCCN(CC)CC1CN(c2ncccn2)Cc2ccnn21
InChIInChI=1S/C15H22N6/c1-3-19(4-2)10-14-12-20(15-16-7-5-8-17-15)11-13-6-9-18-21(13)14/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyNYQNUOABWBXNBK-UHFFFAOYSA-N
MW286.38 g/mol
LogP1.58
Rot. Bonds5

About N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine

N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine (PubChem CID 131651973) has the molecular formula C15H22N6 and a molecular weight of 286.38 g/mol. Its IUPAC name is N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine.

Molecular Properties

Compound NameN-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
PubChem CID131651973
Molecular FormulaC15H22N6
Molecular Weight286.38 g/mol
Exact Mass286.19
IUPAC NameN-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine
SMILESCCN(CC)CC1CN(c2ncccn2)Cc2ccnn21
InChIInChI=1S/C15H22N6/c1-3-19(4-2)10-14-12-20(15-16-7-5-8-17-15)11-13-6-9-18-21(13)14/h5-9,14H,3-4,10-12H2,1-2H3
InChIKeyNYQNUOABWBXNBK-UHFFFAOYSA-N
XLogP1.58
TPSA50.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N,N-dimethyl-1-(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methanamine
CID 133137722
N-ethyl-N-[[(7R)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanamine
CID 124813468
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-pyrimidin-4-ylmethanone
CID 133140812
[7-(diethylaminomethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-(2,6-dimethyl-4-pyridinyl)methanone
CID 131640417
2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
CID 131677517
N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
CID 124825585
2-(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-thiophen-2-ylethyl)acetamide;2,2,2-trifluoroacetic acid
CID 155859328
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
5-(pyridin-2-ylmethyl)-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678215
[(7R)-7-[(dimethylamino)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-quinolin-2-ylmethanone
CID 124819603
(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133137344
N-[[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131646319

Frequently Asked Questions

What is the IUPAC name of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
The IUPAC name of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine (CID 131651973) is N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine.
What is the SMILES notation for N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
The canonical SMILES for N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine is CCN(CC)CC1CN(c2ncccn2)Cc2ccnn21.
What is the InChIKey of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
The InChIKey is NYQNUOABWBXNBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N6/c1-3-19(4-2)10-14-12-20(15-16-7-5-8-17-15)11-13-6-9-18-21(13)14/h5-9,14H,3-4,10-12H2,1-2H3.
What are the key properties of N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine?
N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine has a molecular weight of 286.38 g/mol, XLogP of 1.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-N-[(5-pyrimidin-2-yl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)methyl]ethanamine is sourced from PubChem (CID 131651973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).