4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

C15H14N4OS — CID 90454794

IUPAC4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cccs2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C15H14N4OS/c1-9(2)12-13(11-5-4-6-21-11)18(3)14-10(7-16)8-17-19(14)15(12)20/h4-6,8-9H,1-3H3
InChIKeyUGFOAJZSRMNHOS-UHFFFAOYSA-N
MW298.37 g/mol
LogP2.76
Rot. Bonds2

About 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile

4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454794) has the molecular formula C15H14N4OS and a molecular weight of 298.37 g/mol. Its IUPAC name is 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454794
Molecular FormulaC15H14N4OS
Molecular Weight298.37 g/mol
Exact Mass298.09
IUPAC Name4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cccs2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C15H14N4OS/c1-9(2)12-13(11-5-4-6-21-11)18(3)14-10(7-16)8-17-19(14)15(12)20/h4-6,8-9H,1-3H3
InChIKeyUGFOAJZSRMNHOS-UHFFFAOYSA-N
XLogP2.76
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454794) is 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cccs2)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is UGFOAJZSRMNHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N4OS/c1-9(2)12-13(11-5-4-6-21-11)18(3)14-10(7-16)8-17-19(14)15(12)20/h4-6,8-9H,1-3H3.
What are the key properties of 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 298.37 g/mol, XLogP of 2.76, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxo-6-propan-2-yl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).