1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

C15H13N3O — CID 641891

IUPAC1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(-c3ccccc3)cnn2c1C
InChIInChI=1S/C15H13N3O/c1-10-13(11(2)19)8-16-15-14(9-17-18(10)15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyNILLIEMYRQWVIQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP2.91
Rot. Bonds2

About 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone

1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (PubChem CID 641891) has the molecular formula C15H13N3O and a molecular weight of 251.29 g/mol. Its IUPAC name is 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.

Molecular Properties

Compound Name1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
PubChem CID641891
Molecular FormulaC15H13N3O
Molecular Weight251.29 g/mol
Exact Mass251.11
IUPAC Name1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone
SMILESCC(=O)c1cnc2c(-c3ccccc3)cnn2c1C
InChIInChI=1S/C15H13N3O/c1-10-13(11(2)19)8-16-15-14(9-17-18(10)15)12-6-4-3-5-7-12/h3-9H,1-2H3
InChIKeyNILLIEMYRQWVIQ-UHFFFAOYSA-N
XLogP2.91
TPSA47.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The IUPAC name of 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone (CID 641891) is 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone.
What is the SMILES notation for 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The canonical SMILES for 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is CC(=O)c1cnc2c(-c3ccccc3)cnn2c1C.
What is the InChIKey of 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
The InChIKey is NILLIEMYRQWVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3O/c1-10-13(11(2)19)8-16-15-14(9-17-18(10)15)12-6-4-3-5-7-12/h3-9H,1-2H3.
What are the key properties of 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone?
1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone has a molecular weight of 251.29 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(7-methyl-3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)ethanone is sourced from PubChem (CID 641891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).