N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine

C17H30N4O — CID 124825585

IUPACN,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
SMILESCCN(CC)CC[C@@H]1CN(C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C17H30N4O/c1-3-19(4-2)10-6-17-14-20(15-7-11-22-12-8-15)13-16-5-9-18-21(16)17/h5,9,15,17H,3-4,6-8,10-14H2,1-2H3/t17-/m1/s1
InChIKeySDYGDNCERLLGIV-QGZVFWFLSA-N
MW306.45 g/mol
LogP2.15
Rot. Bonds6

About N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine

N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine (PubChem CID 124825585) has the molecular formula C17H30N4O and a molecular weight of 306.45 g/mol. Its IUPAC name is N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine.

Molecular Properties

Compound NameN,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
PubChem CID124825585
Molecular FormulaC17H30N4O
Molecular Weight306.45 g/mol
Exact Mass306.24
IUPAC NameN,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine
SMILESCCN(CC)CC[C@@H]1CN(C2CCOCC2)Cc2ccnn21
InChIInChI=1S/C17H30N4O/c1-3-19(4-2)10-6-17-14-20(15-7-11-22-12-8-15)13-16-5-9-18-21(16)17/h5,9,15,17H,3-4,6-8,10-14H2,1-2H3/t17-/m1/s1
InChIKeySDYGDNCERLLGIV-QGZVFWFLSA-N
XLogP2.15
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]ethanesulfonamide
CID 124895374
2-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine
CID 131677517
N-[[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131660399
N-methyl-2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 133135621
5-(oxan-4-yl)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;bis(2,2,2-trifluoroacetic acid)
CID 155830284
N-[2-[(7S)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]thiophene-3-carboxamide
CID 124781272
N-ethyl-N-[[(7R)-5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanamine
CID 124813468
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone
CID 124790894
N-[2-[5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155832503
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
2-[5-[(2,5-dimethylpyrazol-3-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-N,N-diethylethanamine;bis(2,2,2-trifluoroacetic acid)
CID 155863622
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826068

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine?
The IUPAC name of N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine (CID 124825585) is N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine.
What is the SMILES notation for N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine?
The canonical SMILES for N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine is CCN(CC)CC[C@@H]1CN(C2CCOCC2)Cc2ccnn21.
What is the InChIKey of N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine?
The InChIKey is SDYGDNCERLLGIV-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H30N4O/c1-3-19(4-2)10-6-17-14-20(15-7-11-22-12-8-15)13-16-5-9-18-21(16)17/h5,9,15,17H,3-4,6-8,10-14H2,1-2H3/t17-/m1/s1.
What are the key properties of N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine?
N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine has a molecular weight of 306.45 g/mol, XLogP of 2.15, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-2-[(7R)-5-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanamine is sourced from PubChem (CID 124825585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).