2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C22H21N3O4 — CID 46973795

IUPAC2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1[nH]n2c(=O)cc(COc3ccc(OC)cc3)nc2c1-c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-27-14-19-21(15-6-4-3-5-7-15)22-23-16(12-20(26)25(22)24-19)13-29-18-10-8-17(28-2)9-11-18/h3-12,24H,13-14H2,1-2H3
InChIKeyDSDRTLPTMPDODD-UHFFFAOYSA-N
MW391.43 g/mol
LogP3.42
Rot. Bonds7

About 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973795) has the molecular formula C22H21N3O4 and a molecular weight of 391.43 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973795
Molecular FormulaC22H21N3O4
Molecular Weight391.43 g/mol
Exact Mass391.15
IUPAC Name2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOCc1[nH]n2c(=O)cc(COc3ccc(OC)cc3)nc2c1-c1ccccc1
InChIInChI=1S/C22H21N3O4/c1-27-14-19-21(15-6-4-3-5-7-15)22-23-16(12-20(26)25(22)24-19)13-29-18-10-8-17(28-2)9-11-18/h3-12,24H,13-14H2,1-2H3
InChIKeyDSDRTLPTMPDODD-UHFFFAOYSA-N
XLogP3.42
TPSA77.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.43
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973795) is 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COCc1[nH]n2c(=O)cc(COc3ccc(OC)cc3)nc2c1-c1ccccc1.
What is the InChIKey of 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DSDRTLPTMPDODD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O4/c1-27-14-19-21(15-6-4-3-5-7-15)22-23-16(12-20(26)25(22)24-19)13-29-18-10-8-17(28-2)9-11-18/h3-12,24H,13-14H2,1-2H3.
What are the key properties of 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 391.43 g/mol, XLogP of 3.42, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-[(4-methoxyphenoxy)methyl]-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).