phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone

C13H13N3O — CID 135671358

IUPACphenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1ccccc1)c1cnn2c1NCCC2
InChIInChI=1S/C13H13N3O/c17-12(10-5-2-1-3-6-10)11-9-15-16-8-4-7-14-13(11)16/h1-3,5-6,9,14H,4,7-8H2
InChIKeyCOGHPXYLOUAVCW-UHFFFAOYSA-N
MW227.27 g/mol
LogP1.93
Rot. Bonds2

About phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone

phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone (PubChem CID 135671358) has the molecular formula C13H13N3O and a molecular weight of 227.27 g/mol. Its IUPAC name is phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone.

Molecular Properties

Compound Namephenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
PubChem CID135671358
Molecular FormulaC13H13N3O
Molecular Weight227.27 g/mol
Exact Mass227.11
IUPAC Namephenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone
SMILESO=C(c1ccccc1)c1cnn2c1NCCC2
InChIInChI=1S/C13H13N3O/c17-12(10-5-2-1-3-6-10)11-9-15-16-8-4-7-14-13(11)16/h1-3,5-6,9,14H,4,7-8H2
InChIKeyCOGHPXYLOUAVCW-UHFFFAOYSA-N
XLogP1.93
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.27
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The IUPAC name of phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone (CID 135671358) is phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone.
What is the SMILES notation for phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The canonical SMILES for phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone is O=C(c1ccccc1)c1cnn2c1NCCC2.
What is the InChIKey of phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone?
The InChIKey is COGHPXYLOUAVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O/c17-12(10-5-2-1-3-6-10)11-9-15-16-8-4-7-14-13(11)16/h1-3,5-6,9,14H,4,7-8H2.
What are the key properties of phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone?
phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone has a molecular weight of 227.27 g/mol, XLogP of 1.93, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl(4,5,6,7-tetrahydropyrazolo[1,5-a]pyrimidin-3-yl)methanone is sourced from PubChem (CID 135671358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).