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

C16H17N3O2 — CID 47001487

IUPAC6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3ccc(OC)cc3)c[nH]n2c1=O
InChIInChI=1S/C16H17N3O2/c1-4-13-10(2)18-15-14(9-17-19(15)16(13)20)11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3
InChIKeyGIRTZBHLVRKTGP-UHFFFAOYSA-N
MW283.33 g/mol
LogP2.57
Rot. Bonds3

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

6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 47001487) has the molecular formula C16H17N3O2 and a molecular weight of 283.33 g/mol. Its IUPAC name is 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID47001487
Molecular FormulaC16H17N3O2
Molecular Weight283.33 g/mol
Exact Mass283.13
IUPAC Name6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCCc1c(C)nc2c(-c3ccc(OC)cc3)c[nH]n2c1=O
InChIInChI=1S/C16H17N3O2/c1-4-13-10(2)18-15-14(9-17-19(15)16(13)20)11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3
InChIKeyGIRTZBHLVRKTGP-UHFFFAOYSA-N
XLogP2.57
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 47001487) is 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is CCc1c(C)nc2c(-c3ccc(OC)cc3)c[nH]n2c1=O.
What is the InChIKey of 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GIRTZBHLVRKTGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O2/c1-4-13-10(2)18-15-14(9-17-19(15)16(13)20)11-5-7-12(21-3)8-6-11/h5-9,17H,4H2,1-3H3.
What are the key properties of 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 283.33 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-3-(4-methoxyphenyl)-5-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 47001487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).