7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C14H12N6O — CID 78426985

IUPAC7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cncnc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C14H12N6O/c1-8(2)11-12(10-4-16-7-17-5-10)19-13-9(3-15)6-18-20(13)14(11)21/h4-8,18H,1-2H3
InChIKeyOQPLYRJYQVSWEL-UHFFFAOYSA-N
MW280.29 g/mol
LogP1.47
Rot. Bonds2

About 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426985) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78426985
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cncnc2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C14H12N6O/c1-8(2)11-12(10-4-16-7-17-5-10)19-13-9(3-15)6-18-20(13)14(11)21/h4-8,18H,1-2H3
InChIKeyOQPLYRJYQVSWEL-UHFFFAOYSA-N
XLogP1.47
TPSA99.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426985) is 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cncnc2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is OQPLYRJYQVSWEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-8(2)11-12(10-4-16-7-17-5-10)19-13-9(3-15)6-18-20(13)14(11)21/h4-8,18H,1-2H3.
What are the key properties of 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 280.29 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-oxo-6-propan-2-yl-5-pyrimidin-5-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).