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

C23H23N3O2 — CID 1369283

IUPAC2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2[nH]n3c(=O)cc(C(C)C)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)19-14-21(27)26-23(24-19)22(17-7-5-4-6-8-17)20(25-26)13-16-9-11-18(28-3)12-10-16/h4-12,14-15,25H,13H2,1-3H3
InChIKeyAQDAQWFEJITVAU-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.41
Rot. Bonds5

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

2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1369283) has the molecular formula C23H23N3O2 and a molecular weight of 373.46 g/mol. Its IUPAC name is 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1369283
Molecular FormulaC23H23N3O2
Molecular Weight373.46 g/mol
Exact Mass373.18
IUPAC Name2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(Cc2[nH]n3c(=O)cc(C(C)C)nc3c2-c2ccccc2)cc1
InChIInChI=1S/C23H23N3O2/c1-15(2)19-14-21(27)26-23(24-19)22(17-7-5-4-6-8-17)20(25-26)13-16-9-11-18(28-3)12-10-16/h4-12,14-15,25H,13H2,1-3H3
InChIKeyAQDAQWFEJITVAU-UHFFFAOYSA-N
XLogP4.41
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 ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1369283) is 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(Cc2[nH]n3c(=O)cc(C(C)C)nc3c2-c2ccccc2)cc1.
What is the InChIKey of 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is AQDAQWFEJITVAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O2/c1-15(2)19-14-21(27)26-23(24-19)22(17-7-5-4-6-8-17)20(25-26)13-16-9-11-18(28-3)12-10-16/h4-12,14-15,25H,13H2,1-3H3.
What are the key properties of 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 373.46 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxyphenyl)methyl]-3-phenyl-5-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1369283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).