3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H13N5OS — CID 46973840

IUPAC3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2cccs2)[nH]n2c(=O)cc(-c3cnn(C)c3)nc12
InChIInChI=1S/C15H13N5OS/c1-9-14(12-4-3-5-22-12)18-20-13(21)6-11(17-15(9)20)10-7-16-19(2)8-10/h3-8,18H,1-2H3
InChIKeyVPUPGLNUVUJPLB-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.46
Rot. Bonds2

About 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 46973840) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID46973840
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1c(-c2cccs2)[nH]n2c(=O)cc(-c3cnn(C)c3)nc12
InChIInChI=1S/C15H13N5OS/c1-9-14(12-4-3-5-22-12)18-20-13(21)6-11(17-15(9)20)10-7-16-19(2)8-10/h3-8,18H,1-2H3
InChIKeyVPUPGLNUVUJPLB-UHFFFAOYSA-N
XLogP2.46
TPSA67.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 46973840) is 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1c(-c2cccs2)[nH]n2c(=O)cc(-c3cnn(C)c3)nc12.
What is the InChIKey of 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is VPUPGLNUVUJPLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-9-14(12-4-3-5-22-12)18-20-13(21)6-11(17-15(9)20)10-7-16-19(2)8-10/h3-8,18H,1-2H3.
What are the key properties of 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 311.37 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(1-methylpyrazol-4-yl)-2-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 46973840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).