5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C14H15N3OS — CID 82273517

IUPAC5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3cccs3)c[nH]n2c(=O)c1C(C)C
InChIInChI=1S/C14H15N3OS/c1-8(2)12-9(3)16-13-10(11-5-4-6-19-11)7-15-17(13)14(12)18/h4-8,15H,1-3H3
InChIKeyWDRPFEVIYZXIQR-UHFFFAOYSA-N
MW273.36 g/mol
LogP3.18
Rot. Bonds2

About 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 82273517) has the molecular formula C14H15N3OS and a molecular weight of 273.36 g/mol. Its IUPAC name is 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID82273517
Molecular FormulaC14H15N3OS
Molecular Weight273.36 g/mol
Exact Mass273.09
IUPAC Name5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1nc2c(-c3cccs3)c[nH]n2c(=O)c1C(C)C
InChIInChI=1S/C14H15N3OS/c1-8(2)12-9(3)16-13-10(11-5-4-6-19-11)7-15-17(13)14(12)18/h4-8,15H,1-3H3
InChIKeyWDRPFEVIYZXIQR-UHFFFAOYSA-N
XLogP3.18
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.36
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one with MolForge

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Related Compounds

3-thiophen-2-yl-5-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82274071
4-chloro-6-methyl-5-propan-2-yl-2-thiophen-2-ylpyrimidine
CID 62913706
6-methyl-5-propan-2-yl-2-thiophen-2-yl-1H-pyrimidine-4-thione
CID 106477898
3-(2-methoxyphenyl)-5,6-dimethyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 82273540
1,6-dimethyl-2-oxo-4-thiophen-2-ylpyridine-3-carbonitrile
CID 82081814
2-[(1S)-1-(4-methylpiperazin-1-yl)ethyl]-5-thiophen-2-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 8602484
5-propan-2-yl-3-thiophen-2-yl-2-(trifluoromethyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 66974856
1,3-dipropyl-8-thiophen-2-yl-7H-purine-2,6-dione
CID 14795484
4-(1-methylsulfonylpropan-2-yl)-3-thiophen-2-yl-1H-1,2,4-triazole-5-thione
CID 64644003
2-methyl-3-thiophen-2-ylpyridine
CID 118471782
4,6-dithiophen-2-yl-1H-1,3,5-triazin-2-one
CID 137099069
5-thiophen-2-yl-1H-triazin-6-one
CID 141174792

Frequently Asked Questions

What is the IUPAC name of 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 82273517) is 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1nc2c(-c3cccs3)c[nH]n2c(=O)c1C(C)C.
What is the InChIKey of 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WDRPFEVIYZXIQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3OS/c1-8(2)12-9(3)16-13-10(11-5-4-6-19-11)7-15-17(13)14(12)18/h4-8,15H,1-3H3.
What are the key properties of 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 273.36 g/mol, XLogP of 3.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-6-propan-2-yl-3-thiophen-2-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 82273517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).