2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

C19H19N5O3 — CID 59723575

IUPAC2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC
InChIInChI=1S/C19H19N5O3/c1-3-27-16-5-4-12(10-17(16)26-2)18-20-7-6-13(22-18)14-11-15-19(25)21-8-9-24(15)23-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyHLSOMTLKFPAJAE-UHFFFAOYSA-N
MW365.39 g/mol
LogP2.16
Rot. Bonds5

About 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one

2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59723575) has the molecular formula C19H19N5O3 and a molecular weight of 365.39 g/mol. Its IUPAC name is 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59723575
Molecular FormulaC19H19N5O3
Molecular Weight365.39 g/mol
Exact Mass365.15
IUPAC Name2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC
InChIInChI=1S/C19H19N5O3/c1-3-27-16-5-4-12(10-17(16)26-2)18-20-7-6-13(22-18)14-11-15-19(25)21-8-9-24(15)23-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25)
InChIKeyHLSOMTLKFPAJAE-UHFFFAOYSA-N
XLogP2.16
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.39
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59723575) is 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CCOc1ccc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc1OC.
What is the InChIKey of 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is HLSOMTLKFPAJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O3/c1-3-27-16-5-4-12(10-17(16)26-2)18-20-7-6-13(22-18)14-11-15-19(25)21-8-9-24(15)23-14/h4-7,10-11H,3,8-9H2,1-2H3,(H,21,25).
What are the key properties of 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 365.39 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-ethoxy-3-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59723575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).