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

C12H11N3O2 — CID 98078005

IUPAC5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccoc3C)cc2n1
InChIInChI=1S/C12H11N3O2/c1-7-5-12(16)15-11(13-7)6-10(14-15)9-3-4-17-8(9)2/h3-6,14H,1-2H3
InChIKeyFWSSNZJRANRRFO-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.90
Rot. Bonds1

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

5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 98078005) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID98078005
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc(=O)n2[nH]c(-c3ccoc3C)cc2n1
InChIInChI=1S/C12H11N3O2/c1-7-5-12(16)15-11(13-7)6-10(14-15)9-3-4-17-8(9)2/h3-6,14H,1-2H3
InChIKeyFWSSNZJRANRRFO-UHFFFAOYSA-N
XLogP1.90
TPSA63.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-methylfuran-3-yl)-12-[(2-methylpyrimidin-4-yl)methyl]-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 46960565
5-(2-methylfuran-3-yl)-11-[(2-methylpyrimidin-4-yl)methyl]-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 155900721
11-[(1,5-dimethylpyrazol-4-yl)methyl]-5-(2-methylfuran-3-yl)-2,6,7,11-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 155900819
12-[[5-(methoxymethyl)furan-2-yl]methyl]-5-(2-methylfuran-3-yl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 98070043
12-[(4-ethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 110244894
12-[(2-ethoxyphenyl)methyl]-5-(2-methylfuran-3-yl)-2,6,7,12-tetrazatricyclo[7.4.0.03,7]trideca-1(9),2,4-trien-8-one
CID 95800628
2-(4-methylphenyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 82271418
2-(4-methylphenyl)-5-propyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 652947
2,5-diphenyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 2818800
5-(methoxymethyl)-2-(4-methylphenyl)-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 761945
5-methyl-2-phenyl-1H-pyrazolo[1,5-a]pyrimidine-7-thione
CID 12726134
2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 15323003

Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 98078005) is 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc(=O)n2[nH]c(-c3ccoc3C)cc2n1.
What is the InChIKey of 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is FWSSNZJRANRRFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-7-5-12(16)15-11(13-7)6-10(14-15)9-3-4-17-8(9)2/h3-6,14H,1-2H3.
What are the key properties of 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 229.24 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2-methylfuran-3-yl)-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 98078005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).