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

C19H18ClN5O3 — CID 59722915

IUPAC2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OC
InChIInChI=1S/C19H18ClN5O3/c1-3-28-16-9-11(8-12(20)17(16)27-2)18-21-5-4-13(23-18)14-10-15-19(26)22-6-7-25(15)24-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,26)
InChIKeyBZBQIZVOGLYZNM-UHFFFAOYSA-N
MW399.84 g/mol
LogP2.81
Rot. Bonds5

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

2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (PubChem CID 59722915) has the molecular formula C19H18ClN5O3 and a molecular weight of 399.84 g/mol. Its IUPAC name is 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.

Molecular Properties

Compound Name2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
PubChem CID59722915
Molecular FormulaC19H18ClN5O3
Molecular Weight399.84 g/mol
Exact Mass399.11
IUPAC Name2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one
SMILESCCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OC
InChIInChI=1S/C19H18ClN5O3/c1-3-28-16-9-11(8-12(20)17(16)27-2)18-21-5-4-13(23-18)14-10-15-19(26)22-6-7-25(15)24-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,26)
InChIKeyBZBQIZVOGLYZNM-UHFFFAOYSA-N
XLogP2.81
TPSA91.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.84
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The IUPAC name of 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one (CID 59722915) is 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one.
What is the SMILES notation for 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The canonical SMILES for 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is CCOc1cc(-c2nccc(-c3cc4n(n3)CCNC4=O)n2)cc(Cl)c1OC.
What is the InChIKey of 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
The InChIKey is BZBQIZVOGLYZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN5O3/c1-3-28-16-9-11(8-12(20)17(16)27-2)18-21-5-4-13(23-18)14-10-15-19(26)22-6-7-25(15)24-14/h4-5,8-10H,3,6-7H2,1-2H3,(H,22,26).
What are the key properties of 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one?
2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one has a molecular weight of 399.84 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-chloro-5-ethoxy-4-methoxyphenyl)pyrimidin-4-yl]-6,7-dihydro-5H-pyrazolo[1,5-a]pyrazin-4-one is sourced from PubChem (CID 59722915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).