1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one

C14H12N4OS — CID 2989016

IUPAC1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one
SMILESCC(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-10(19)8-20-14-12-7-17-18(13(12)15-9-16-14)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyFGHALKDSCVZDOE-UHFFFAOYSA-N
MW284.34 g/mol
LogP2.50
Rot. Bonds4

About 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one

1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one (PubChem CID 2989016) has the molecular formula C14H12N4OS and a molecular weight of 284.34 g/mol. Its IUPAC name is 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one.

Molecular Properties

Compound Name1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one
PubChem CID2989016
Molecular FormulaC14H12N4OS
Molecular Weight284.34 g/mol
Exact Mass284.07
IUPAC Name1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one
SMILESCC(=O)CSc1ncnc2c1cnn2-c1ccccc1
InChIInChI=1S/C14H12N4OS/c1-10(19)8-20-14-12-7-17-18(13(12)15-9-16-14)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3
InChIKeyFGHALKDSCVZDOE-UHFFFAOYSA-N
XLogP2.50
TPSA60.67 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.34
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one?
The IUPAC name of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one (CID 2989016) is 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one.
What is the SMILES notation for 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one?
The canonical SMILES for 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one is CC(=O)CSc1ncnc2c1cnn2-c1ccccc1.
What is the InChIKey of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one?
The InChIKey is FGHALKDSCVZDOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4OS/c1-10(19)8-20-14-12-7-17-18(13(12)15-9-16-14)11-5-3-2-4-6-11/h2-7,9H,8H2,1H3.
What are the key properties of 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one?
1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one has a molecular weight of 284.34 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylpropan-2-one is sourced from PubChem (CID 2989016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).