5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

C15H22F3N3O3 — CID 155826068

IUPAC5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCCC1CN(C2CCC2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H21N3O.C2HF3O2/c1-17-8-6-13-10-15(11-3-2-4-11)9-12-5-7-14-16(12)13;3-2(4,5)1(6)7/h5,7,11,13H,2-4,6,8-10H2,1H3;(H,6,7)
InChIKeyINDBJHBFHYUPLD-UHFFFAOYSA-N
MW349.35 g/mol
LogP2.46
Rot. Bonds4

About 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid

5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155826068) has the molecular formula C15H22F3N3O3 and a molecular weight of 349.35 g/mol. Its IUPAC name is 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155826068
Molecular FormulaC15H22F3N3O3
Molecular Weight349.35 g/mol
Exact Mass349.16
IUPAC Name5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESCOCCC1CN(C2CCC2)Cc2ccnn21.O=C(O)C(F)(F)F
InChIInChI=1S/C13H21N3O.C2HF3O2/c1-17-8-6-13-10-15(11-3-2-4-11)9-12-5-7-14-16(12)13;3-2(4,5)1(6)7/h5,7,11,13H,2-4,6,8-10H2,1H3;(H,6,7)
InChIKeyINDBJHBFHYUPLD-UHFFFAOYSA-N
XLogP2.46
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 171693010
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-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]-1,3-thiazole-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155850249
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
2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)-N-(2-pyridin-4-ylethyl)acetamide;bis(2,2,2-trifluoroacetic acid)
CID 155836241
N-[2-[(7S)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-1-methylpyrrole-2-carboxamide
CID 124818888
(7S)-5-cyclopentyl-7-(2-pyridin-3-yloxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124909674
N-[2-(5-cyclobutyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]thiophene-3-carboxamide
CID 131659331
N-[2-[5-(cyclobutylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]methanesulfonamide;2,2,2-trifluoroacetic acid
CID 155862879
2-cyclopentyl-N-(2-methoxyethyl)-1,3,4,5-tetrahydropyrrolo[1,2-a][1,4]diazepine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 155829360
N-[2-(5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl)ethyl]pyridine-3-carboxamide
CID 131677870
2-[(7R)-5-cyclopentyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]-1-morpholin-4-ylethanone
CID 124790894

Frequently Asked Questions

What is the IUPAC name of 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155826068) is 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is COCCC1CN(C2CCC2)Cc2ccnn21.O=C(O)C(F)(F)F.
What is the InChIKey of 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is INDBJHBFHYUPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O.C2HF3O2/c1-17-8-6-13-10-15(11-3-2-4-11)9-12-5-7-14-16(12)13;3-2(4,5)1(6)7/h5,7,11,13H,2-4,6,8-10H2,1H3;(H,6,7).
What are the key properties of 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 349.35 g/mol, XLogP of 2.46, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155826068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).