ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

C13H15N3S — CID 143439241

IUPACethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC.Cc1cc(-c2cccs2)nc2ccnn12
InChIInChI=1S/C11H9N3S.C2H6/c1-8-7-9(10-3-2-6-15-10)13-11-4-5-12-14(8)11;1-2/h2-7H,1H3;1-2H3
InChIKeyLONKJPPVUUFCFT-UHFFFAOYSA-N
MW245.35 g/mol
LogP3.79
Rot. Bonds1

About ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine

ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (PubChem CID 143439241) has the molecular formula C13H15N3S and a molecular weight of 245.35 g/mol. Its IUPAC name is ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.

Molecular Properties

Compound Nameethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
PubChem CID143439241
Molecular FormulaC13H15N3S
Molecular Weight245.35 g/mol
Exact Mass245.10
IUPAC Nameethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
SMILESCC.Cc1cc(-c2cccs2)nc2ccnn12
InChIInChI=1S/C11H9N3S.C2H6/c1-8-7-9(10-3-2-6-15-10)13-11-4-5-12-14(8)11;1-2/h2-7H,1H3;1-2H3
InChIKeyLONKJPPVUUFCFT-UHFFFAOYSA-N
XLogP3.79
TPSA30.19 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.35
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-methyl-5-(4-methylphenyl)pyrazolo[1,5-a]pyrimidine
CID 71200006
methyl 7-thiophen-2-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 4767067
2-chloro-4-methyl-6-thiophen-2-ylpyridine
CID 142254642
2,4-dimethyl-6-thiophen-2-ylpyrimidine
CID 15626100
1,5-dimethyl-3-thiophen-2-ylpyrazole
CID 59635615
5-(2,2-dimethylpropyl)-7-methylpyrazolo[1,5-a]pyrimidine
CID 121286564
5,7-dimethyl-3-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 51345972
7-methyl-2-thiophen-2-ylimidazo[1,2-a]pyridin-6-amine
CID 82060155
4-methyl-2-methylsulfanyl-6-thiophen-2-ylpyrimidine
CID 10889503
4-(furan-3-yl)-2,6-dithiophen-2-ylpyridine
CID 46224813
2-methylsulfanyl-4-pyrazol-1-yl-6-thiophen-2-ylpyrimidine
CID 138620881
7-chloro-5-ethyl-2-thiophen-2-ylpyrazolo[1,5-a]pyrimidine
CID 82269997

Frequently Asked Questions

What is the IUPAC name of ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The IUPAC name of ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine (CID 143439241) is ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine.
What is the SMILES notation for ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The canonical SMILES for ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is CC.Cc1cc(-c2cccs2)nc2ccnn12.
What is the InChIKey of ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
The InChIKey is LONKJPPVUUFCFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9N3S.C2H6/c1-8-7-9(10-3-2-6-15-10)13-11-4-5-12-14(8)11;1-2/h2-7H,1H3;1-2H3.
What are the key properties of ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine?
ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine has a molecular weight of 245.35 g/mol, XLogP of 3.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;7-methyl-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidine is sourced from PubChem (CID 143439241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).