5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

C17H19N5O2 — CID 133143458

IUPAC5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1ccnc(OCC2CN(Cc3ccco3)Cc3ccnn32)n1
InChIInChI=1S/C17H19N5O2/c1-13-4-6-18-17(20-13)24-12-15-10-21(11-16-3-2-8-23-16)9-14-5-7-19-22(14)15/h2-8,15H,9-12H2,1H3
InChIKeyMUPODKHCCNPLNX-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.21
Rot. Bonds5

About 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine

5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (PubChem CID 133143458) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.

Molecular Properties

Compound Name5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
PubChem CID133143458
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC Name5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
SMILESCc1ccnc(OCC2CN(Cc3ccco3)Cc3ccnn32)n1
InChIInChI=1S/C17H19N5O2/c1-13-4-6-18-17(20-13)24-12-15-10-21(11-16-3-2-8-23-16)9-14-5-7-19-22(14)15/h2-8,15H,9-12H2,1H3
InChIKeyMUPODKHCCNPLNX-UHFFFAOYSA-N
XLogP2.21
TPSA69.21 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131671998
N-[2-[5-(furan-2-ylmethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]ethyl]-3-methylbutanamide
CID 131677947
5-(pyridin-2-ylmethyl)-7-(pyridin-2-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131678215
5-(furan-2-ylmethyl)-7-[2-(oxan-4-ylmethoxy)ethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine;2,2,2-trifluoroacetic acid
CID 155832223
N-(furan-2-ylmethyl)-2-[(7S)-5-[(3-methylthiophen-2-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 124912511
5-(furan-3-ylmethyl)-7-(pyridin-3-yloxymethyl)-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine
CID 131642230
N-methyl-2-[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]acetamide
CID 131677306
N-[[5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]ethanesulfonamide
CID 131676763
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
1-[[(7S)-5-[(6-methyl-2-pyridinyl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methyl]pyrrolidin-2-one
CID 124794332
2-[[5-[(4-methyl-1,3-thiazol-5-yl)methyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-7-yl]methoxy]-1-pyrrolidin-1-ylethanone
CID 133143226
N-(furan-2-ylmethyl)-2-(4-methylpyrimidin-2-yl)oxyacetamide
CID 121086734

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The IUPAC name of 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine (CID 133143458) is 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine.
What is the SMILES notation for 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The canonical SMILES for 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is Cc1ccnc(OCC2CN(Cc3ccco3)Cc3ccnn32)n1.
What is the InChIKey of 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
The InChIKey is MUPODKHCCNPLNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-13-4-6-18-17(20-13)24-12-15-10-21(11-16-3-2-8-23-16)9-14-5-7-19-22(14)15/h2-8,15H,9-12H2,1H3.
What are the key properties of 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine?
5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine has a molecular weight of 325.37 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-ylmethyl)-7-[(4-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazine is sourced from PubChem (CID 133143458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).