2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

C20H32N4O2 — CID 124785757

IUPAC2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(COC1CCCC1)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c25-20(16-26-19-6-2-3-7-19)23-14-17-8-10-21-24(17)18(15-23)9-13-22-11-4-1-5-12-22/h8,10,18-19H,1-7,9,11-16H2/t18-/m0/s1
InChIKeyIMYSQBJTEVBKND-SFHVURJKSA-N
MW360.50 g/mol
LogP2.60
Rot. Bonds6

About 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone

2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (PubChem CID 124785757) has the molecular formula C20H32N4O2 and a molecular weight of 360.50 g/mol. Its IUPAC name is 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.

Molecular Properties

Compound Name2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
PubChem CID124785757
Molecular FormulaC20H32N4O2
Molecular Weight360.50 g/mol
Exact Mass360.25
IUPAC Name2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
SMILESO=C(COC1CCCC1)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1
InChIInChI=1S/C20H32N4O2/c25-20(16-26-19-6-2-3-7-19)23-14-17-8-10-21-24(17)18(15-23)9-13-22-11-4-1-5-12-22/h8,10,18-19H,1-7,9,11-16H2/t18-/m0/s1
InChIKeyIMYSQBJTEVBKND-SFHVURJKSA-N
XLogP2.60
TPSA50.60 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.50
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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
3-methyl-1-[7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]butan-1-one
CID 131678513
N-[[5-(2-cyclopentyloxyacetyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]methanesulfonamide
CID 131661850
(6-methyl-3-pyridinyl)-[7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 131652972
2-cyclopentyloxy-1-[7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142404
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
5-ethylsulfonyl-7-(2-pyrrolidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678549
N,N-dimethyl-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine-5-sulfonamide
CID 131656757
7-(2-piperidin-1-ylethyl)-5-propylsulfonyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133136599
N-[[(7S)-5-(2-cyclopentyloxyacetyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepin-7-yl]methyl]methanesulfonamide
CID 124782882
2-pyridin-2-yl-1-[7-(pyrrolidin-1-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone
CID 133142158
2-[2-[5-[(5-methylfuran-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethoxy]-1-pyrrolidin-1-ylethanone
CID 131672000

Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The IUPAC name of 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone (CID 124785757) is 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone.
What is the SMILES notation for 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The canonical SMILES for 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is O=C(COC1CCCC1)N1Cc2ccnn2[C@@H](CCN2CCCCC2)C1.
What is the InChIKey of 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
The InChIKey is IMYSQBJTEVBKND-SFHVURJKSA-N. The full InChI is InChI=1S/C20H32N4O2/c25-20(16-26-19-6-2-3-7-19)23-14-17-8-10-21-24(17)18(15-23)9-13-22-11-4-1-5-12-22/h8,10,18-19H,1-7,9,11-16H2/t18-/m0/s1.
What are the key properties of 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone?
2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone has a molecular weight of 360.50 g/mol, XLogP of 2.60, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyloxy-1-[(7S)-7-(2-piperidin-1-ylethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]ethanone is sourced from PubChem (CID 124785757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).