6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C23H23N3O2 — CID 1370222

IUPAC6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3ccccc3)c(Cc3ccc(OC)cc3)[nH]n2c1=O
InChIInChI=1S/C23H23N3O2/c1-4-19-15(2)24-22-21(17-8-6-5-7-9-17)20(25-26(22)23(19)27)14-16-10-12-18(28-3)13-11-16/h5-13,25H,4,14H2,1-3H3
InChIKeyTUNBAWYJZZONSF-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.16
Rot. Bonds5

About 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one

6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1370222) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1370222
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3ccccc3)c(Cc3ccc(OC)cc3)[nH]n2c1=O
InChIInChI=1S/C23H23N3O2/c1-4-19-15(2)24-22-21(17-8-6-5-7-9-17)20(25-26(22)23(19)27)14-16-10-12-18(28-3)13-11-16/h5-13,25H,4,14H2,1-3H3
InChIKeyTUNBAWYJZZONSF-UHFFFAOYSA-N
XLogP4.16
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1370222) is 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2c(-c3ccccc3)c(Cc3ccc(OC)cc3)[nH]n2c1=O.
What is the InChIKey of 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is TUNBAWYJZZONSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-4-19-15(2)24-22-21(17-8-6-5-7-9-17)20(25-26(22)23(19)27)14-16-10-12-18(28-3)13-11-16/h5-13,25H,4,14H2,1-3H3.
What are the key properties of 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 373.46 g/mol, XLogP of 4.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-[(4-methoxyphenyl)methyl]-5-methyl-3-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1370222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).