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

C15H16N4O2 — CID 90454804

IUPAC5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(C2=CCOC2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C15H16N4O2/c1-9(2)12-13(10-4-5-21-8-10)18(3)14-11(6-16)7-17-19(14)15(12)20/h4,7,9H,5,8H2,1-3H3
InChIKeyIVJOQOCWFIYFEJ-UHFFFAOYSA-N
MW284.32 g/mol
LogP1.44
Rot. Bonds2

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

5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454804) has the molecular formula C15H16N4O2 and a molecular weight of 284.32 g/mol. Its IUPAC name is 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454804
Molecular FormulaC15H16N4O2
Molecular Weight284.32 g/mol
Exact Mass284.13
IUPAC Name5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(C2=CCOC2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C15H16N4O2/c1-9(2)12-13(10-4-5-21-8-10)18(3)14-11(6-16)7-17-19(14)15(12)20/h4,7,9H,5,8H2,1-3H3
InChIKeyIVJOQOCWFIYFEJ-UHFFFAOYSA-N
XLogP1.44
TPSA72.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.32
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-Ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78425992
4-(2-(Dimethylamino)ethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426132
Ethyl 3-cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 90419607
6-Ethyl-4-(2-methoxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454585
4-(Cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454587
4,5-Dimethyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454589
4,6-Diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454590
6-Ethyl-5-methyl-7-oxo-4-propylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454591
5-Ethenyl-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454821
4-Methyl-7-oxo-6-propan-2-yl-5-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454825
4-Methyl-5-(1-methyl-6-oxo-3-pyridinyl)-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454836
4-methyl-7-oxo-6-propan-2-yl-5-(2H-pyrrol-3-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 157068204

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454804) is 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(C2=CCOC2)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is IVJOQOCWFIYFEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2/c1-9(2)12-13(10-4-5-21-8-10)18(3)14-11(6-16)7-17-19(14)15(12)20/h4,7,9H,5,8H2,1-3H3.
What are the key properties of 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 284.32 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dihydrofuran-3-yl)-4-methyl-7-oxo-6-propan-2-ylpyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).