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

C17H20F3N5O3 — CID 155824218

IUPAC5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(OCC2CN(CC3CC3)Cc3ccnn32)nc1
InChIInChI=1S/C15H19N5O.C2HF3O2/c1-5-16-15(17-6-1)21-11-14-10-19(8-12-2-3-12)9-13-4-7-18-20(13)14;3-2(4,5)1(6)7/h1,4-7,12,14H,2-3,8-11H2;(H,6,7)
InChIKeyJGUDGMZBKDLVJU-UHFFFAOYSA-N
MW399.37 g/mol
LogP2.15
Rot. Bonds5

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

5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (PubChem CID 155824218) has the molecular formula C17H20F3N5O3 and a molecular weight of 399.37 g/mol. Its IUPAC name is 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.

Molecular Properties

Compound Name5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
PubChem CID155824218
Molecular FormulaC17H20F3N5O3
Molecular Weight399.37 g/mol
Exact Mass399.15
IUPAC Name5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
SMILESO=C(O)C(F)(F)F.c1cnc(OCC2CN(CC3CC3)Cc3ccnn32)nc1
InChIInChI=1S/C15H19N5O.C2HF3O2/c1-5-16-15(17-6-1)21-11-14-10-19(8-12-2-3-12)9-13-4-7-18-20(13)14;3-2(4,5)1(6)7/h1,4-7,12,14H,2-3,8-11H2;(H,6,7)
InChIKeyJGUDGMZBKDLVJU-UHFFFAOYSA-N
XLogP2.15
TPSA93.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.37
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1H-pyrazol-5-ylmethyl)-8-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118742925
8-(1H-pyrazol-5-ylmethyl)-4-pyrimidin-2-yl-1,11-dioxa-4,8-diazaspiro[5.6]dodecane;2,2,2-trifluoroacetic acid
CID 118742949
(7S)-7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124230495
(7R)-7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 124230496
7-[2-(cyclopropylmethoxy)ethyl]-5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131669432
2-[[5-(5-fluoropyrimidin-2-yl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133141297
5-(5-fluoropyrimidin-2-yl)-7-(methoxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 133142691
N-[5-methyl-1-(2-methylpropyl)pyrazol-4-yl]-4-morpholin-4-ylpyrimidin-2-amine;2,2,2-trifluoroacetic acid
CID 136574256
2-[4-[3-(5-Methylpyrazol-1-yl)propyl]piperazin-1-yl]pyrimidine;bis(2,2,2-trifluoroacetic acid)
CID 154889636
5-cyclobutyl-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155826886
7-[(1-methylpyrazol-4-yl)methyl]-5-[(4-methylpyrimidin-2-yl)oxymethyl]-6,8-dihydro-5H-imidazo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832068
7-(Cyclopropylmethoxymethyl)-5-(5-methylpyrimidin-2-yl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine;2,2,2-trifluoroacetic acid
CID 155839950

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The IUPAC name of 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid (CID 155824218) is 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid.
What is the SMILES notation for 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The canonical SMILES for 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is O=C(O)C(F)(F)F.c1cnc(OCC2CN(CC3CC3)Cc3ccnn32)nc1.
What is the InChIKey of 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
The InChIKey is JGUDGMZBKDLVJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O.C2HF3O2/c1-5-16-15(17-6-1)21-11-14-10-19(8-12-2-3-12)9-13-4-7-18-20(13)14;3-2(4,5)1(6)7/h1,4-7,12,14H,2-3,8-11H2;(H,6,7).
What are the key properties of 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid?
5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid has a molecular weight of 399.37 g/mol, XLogP of 2.15, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopropylmethyl)-7-(pyrimidin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid is sourced from PubChem (CID 155824218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).