2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H13N3OS — CID 1485055

IUPAC2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CSc3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N3OS/c1-10-7-13-15-11(8-14(18)17(13)16-10)9-19-12-5-3-2-4-6-12/h2-8,16H,9H2,1H3
InChIKeyGWSFRVRPGVQGIA-UHFFFAOYSA-N
MW271.34 g/mol
LogP2.62
Rot. Bonds3

About 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 1485055) has the molecular formula C14H13N3OS and a molecular weight of 271.34 g/mol. Its IUPAC name is 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID1485055
Molecular FormulaC14H13N3OS
Molecular Weight271.34 g/mol
Exact Mass271.08
IUPAC Name2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CSc3ccccc3)cc(=O)n2[nH]1
InChIInChI=1S/C14H13N3OS/c1-10-7-13-15-11(8-14(18)17(13)16-10)9-19-12-5-3-2-4-6-12/h2-8,16H,9H2,1H3
InChIKeyGWSFRVRPGVQGIA-UHFFFAOYSA-N
XLogP2.62
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.34
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 1485055) is 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CSc3ccccc3)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is GWSFRVRPGVQGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3OS/c1-10-7-13-15-11(8-14(18)17(13)16-10)9-19-12-5-3-2-4-6-12/h2-8,16H,9H2,1H3.
What are the key properties of 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 271.34 g/mol, XLogP of 2.62, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-(phenylsulfanylmethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 1485055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).