3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C17H13N3OS — CID 10892174

IUPAC3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2c[nH]n3c(=O)c(-c4ccsc4)cnc23)c1
InChIInChI=1S/C17H13N3OS/c1-11-3-2-4-12(7-11)14-9-19-20-16(14)18-8-15(17(20)21)13-5-6-22-10-13/h2-10,19H,1H3
InChIKeyBZRBRUWLBXBWDV-UHFFFAOYSA-N
MW307.38 g/mol
LogP3.73
Rot. Bonds2

About 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 10892174) has the molecular formula C17H13N3OS and a molecular weight of 307.38 g/mol. Its IUPAC name is 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID10892174
Molecular FormulaC17H13N3OS
Molecular Weight307.38 g/mol
Exact Mass307.08
IUPAC Name3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cccc(-c2c[nH]n3c(=O)c(-c4ccsc4)cnc23)c1
InChIInChI=1S/C17H13N3OS/c1-11-3-2-4-12(7-11)14-9-19-20-16(14)18-8-15(17(20)21)13-5-6-22-10-13/h2-10,19H,1H3
InChIKeyBZRBRUWLBXBWDV-UHFFFAOYSA-N
XLogP3.73
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 10892174) is 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cccc(-c2c[nH]n3c(=O)c(-c4ccsc4)cnc23)c1.
What is the InChIKey of 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is BZRBRUWLBXBWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N3OS/c1-11-3-2-4-12(7-11)14-9-19-20-16(14)18-8-15(17(20)21)13-5-6-22-10-13/h2-10,19H,1H3.
What are the key properties of 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 307.38 g/mol, XLogP of 3.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methylphenyl)-6-thiophen-3-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 10892174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).