2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid

C20H29F3N4O4 — CID 155828852

IUPAC2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(COC1CCCC1)N1Cc2ccnn2C(CN2CCCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O2.C2HF3O2/c23-18(14-24-17-5-1-2-6-17)21-12-15-7-8-19-22(15)16(13-21)11-20-9-3-4-10-20;3-2(4,5)1(6)7/h7-8,16-17H,1-6,9-14H2;(H,6,7)
InChIKeyOBXGYXIJSQAEQY-UHFFFAOYSA-N
MW446.47 g/mol
LogP2.45
Rot. Bonds5

About 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid

2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid (PubChem CID 155828852) has the molecular formula C20H29F3N4O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid
PubChem CID155828852
Molecular FormulaC20H29F3N4O4
Molecular Weight446.47 g/mol
Exact Mass446.21
IUPAC Name2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid
SMILESO=C(COC1CCCC1)N1Cc2ccnn2C(CN2CCCC2)C1.O=C(O)C(F)(F)F
InChIInChI=1S/C18H28N4O2.C2HF3O2/c23-18(14-24-17-5-1-2-6-17)21-12-15-7-8-19-22(15)16(13-21)11-20-9-3-4-10-20;3-2(4,5)1(6)7/h7-8,16-17H,1-6,9-14H2;(H,6,7)
InChIKeyOBXGYXIJSQAEQY-UHFFFAOYSA-N
XLogP2.45
TPSA87.90 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 124785757
N-[[5-(2-cyclopentyloxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131661850
2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142404
2-pyridin-2-yl-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142158
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
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
3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
CID 131678513
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
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-[[5-(furan-3-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidine-1-carboxamide;2,2,2-trifluoroacetic acid
CID 155866383
1-benzofuran-2-yl-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133136395
N-[[(7S)-5-(2-cyclopentyloxyacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782882

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The IUPAC name of 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) is 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The canonical SMILES for 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid is O=C(COC1CCCC1)N1Cc2ccnn2C(CN2CCCC2)C1.O=C(O)C(F)(F)F.
What is the InChIKey of 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
The InChIKey is OBXGYXIJSQAEQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N4O2.C2HF3O2/c23-18(14-24-17-5-1-2-6-17)21-12-15-7-8-19-22(15)16(13-21)11-20-9-3-4-10-20;3-2(4,5)1(6)7/h7-8,16-17H,1-6,9-14H2;(H,6,7).
What are the key properties of 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid?
2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid has a molecular weight of 446.47 g/mol, XLogP of 2.45, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155828852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).