2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

C21H31F3N4O5 — CID 155844178

IUPAC2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CN1Cc2ccnn2C(COCC2CCOCC2)C1)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N4O3.C2HF3O2/c24-19(22-7-1-2-8-22)13-21-11-17-3-6-20-23(17)18(12-21)15-26-14-16-4-9-25-10-5-16;3-2(4,5)1(6)7/h3,6,16,18H,1-2,4-5,7-15H2;(H,6,7)
InChIKeyJYTKRDRDQYUUJB-UHFFFAOYSA-N
MW476.50 g/mol
LogP1.94
Rot. Bonds6

About 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid

2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (PubChem CID 155844178) has the molecular formula C21H31F3N4O5 and a molecular weight of 476.50 g/mol. Its IUPAC name is 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
PubChem CID155844178
Molecular FormulaC21H31F3N4O5
Molecular Weight476.50 g/mol
Exact Mass476.22
IUPAC Name2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid
SMILESO=C(CN1Cc2ccnn2C(COCC2CCOCC2)C1)N1CCCC1.O=C(O)C(F)(F)F
InChIInChI=1S/C19H30N4O3.C2HF3O2/c24-19(22-7-1-2-8-22)13-21-11-17-3-6-20-23(17)18(12-21)15-26-14-16-4-9-25-10-5-16;3-2(4,5)1(6)7/h3,6,16,18H,1-2,4-5,7-15H2;(H,6,7)
InChIKeyJYTKRDRDQYUUJB-UHFFFAOYSA-N
XLogP1.94
TPSA97.13 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.50
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid with MolForge

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Related Compounds

5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832223
1-(azetidin-1-yl)-2-[(7S)-5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone
CID 124791182
5-(2-ethylsulfonylethyl)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133142240
1-(3,3-difluoroazetidin-1-yl)-2-[5-(oxan-4-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155861648
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-[5-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155861935
(7R)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781899
(7S)-5-methylsulfonyl-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124781898
[(7R)-7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-thiophen-3-ylmethanone
CID 124793376
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-(azetidin-1-yl)-2-[5-(2-ethylsulfonylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155864066
2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid
CID 155828852

Frequently Asked Questions

What is the IUPAC name of 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid (CID 155844178) is 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is O=C(CN1Cc2ccnn2C(COCC2CCOCC2)C1)N1CCCC1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
The InChIKey is JYTKRDRDQYUUJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N4O3.C2HF3O2/c24-19(22-7-1-2-8-22)13-21-11-17-3-6-20-23(17)18(12-21)15-26-14-16-4-9-25-10-5-16;3-2(4,5)1(6)7/h3,6,16,18H,1-2,4-5,7-15H2;(H,6,7).
What are the key properties of 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid?
2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid has a molecular weight of 476.50 g/mol, XLogP of 1.94, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(oxan-4-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]-1-pyrrolidin-1-ylethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155844178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).