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

C19H23F3N4O3 — CID 171693010

IUPAC5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(OCC2CN(C3CCCC3)Cc3ccnn32)nc1
InChIInChI=1S/C17H22N4O.C2HF3O2/c1-2-6-14(5-1)20-11-15-8-10-19-21(15)16(12-20)13-22-17-7-3-4-9-18-17;3-2(4,5)1(6)7/h3-4,7-10,14,16H,1-2,5-6,11-13H2;(H,6,7)
InChIKeyFECRFKXRXMDOAW-UHFFFAOYSA-N
MW412.41 g/mol
LogP3.29
Rot. Bonds4

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

5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 171693010) has the molecular formula C19H23F3N4O3 and a molecular weight of 412.41 g/mol. Its IUPAC name is 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID171693010
Molecular FormulaC19H23F3N4O3
Molecular Weight412.41 g/mol
Exact Mass412.17
IUPAC Name5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1ccc(OCC2CN(C3CCCC3)Cc3ccnn32)nc1
InChIInChI=1S/C17H22N4O.C2HF3O2/c1-2-6-14(5-1)20-11-15-8-10-19-21(15)16(12-20)13-22-17-7-3-4-9-18-17;3-2(4,5)1(6)7/h3-4,7-10,14,16H,1-2,5-6,11-13H2;(H,6,7)
InChIKeyFECRFKXRXMDOAW-UHFFFAOYSA-N
XLogP3.29
TPSA80.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 53.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

pyrazin-2-yl-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone;2,2,2-trifluoroacetic acid
CID 155861062
5-cyclobutyl-7-(2-methoxyethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826068
(7R)-5-cyclobutyl-7-(pyridin-2-ylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124911912
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
(4S)-2-cyclobutyl-4-(pyridin-2-yloxymethyl)-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazine
CID 124911929
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
5-(pyridin-2-ylmethyl)-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678215
2-cyclopentyl-5-methyl-8-(pyridin-2-yloxymethyl)-2,5-diazaspiro[3.5]nonane;tris(2,2,2-trifluoroacetic acid)
CID 155869286
(1-ethylpiperidin-4-yl)-[7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-5-yl]methanone
CID 133137344
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-(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
N-methyl-2-[5-(pyridin-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide;2,2,2-trifluoroacetic acid
CID 171694951

Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 171693010) is 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1ccc(OCC2CN(C3CCCC3)Cc3ccnn32)nc1.
What is the InChIKey of 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is FECRFKXRXMDOAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O.C2HF3O2/c1-2-6-14(5-1)20-11-15-8-10-19-21(15)16(12-20)13-22-17-7-3-4-9-18-17;3-2(4,5)1(6)7/h3-4,7-10,14,16H,1-2,5-6,11-13H2;(H,6,7).
What are the key properties of 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 412.41 g/mol, XLogP of 3.29, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 171693010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).