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

C20H17N3O2 — CID 867736

IUPAC3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H17N3O2/c1-13-19(15-8-10-16(25-2)11-9-15)20-21-17(12-18(24)23(20)22-13)14-6-4-3-5-7-14/h3-12,22H,1-2H3
InChIKeySZIALEUBAGCHGW-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.67
Rot. Bonds3

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

3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 867736) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID867736
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCOc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1
InChIInChI=1S/C20H17N3O2/c1-13-19(15-8-10-16(25-2)11-9-15)20-21-17(12-18(24)23(20)22-13)14-6-4-3-5-7-14/h3-12,22H,1-2H3
InChIKeySZIALEUBAGCHGW-UHFFFAOYSA-N
XLogP3.67
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 867736) is 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is COc1ccc(-c2c(C)[nH]n3c(=O)cc(-c4ccccc4)nc23)cc1.
What is the InChIKey of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SZIALEUBAGCHGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c1-13-19(15-8-10-16(25-2)11-9-15)20-21-17(12-18(24)23(20)22-13)14-6-4-3-5-7-14/h3-12,22H,1-2H3.
What are the key properties of 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 331.38 g/mol, XLogP of 3.67, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methoxyphenyl)-2-methyl-5-phenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 867736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).