5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C16H16N6O2 — CID 90454688

IUPAC5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(C3COC3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H16N6O2/c1-9(2)13-14(11-5-18-21(6-11)12-7-24-8-12)20-15-10(3-17)4-19-22(15)16(13)23/h4-6,9,12,19H,7-8H2,1-2H3
InChIKeyLJUDVVOBOMJGBR-UHFFFAOYSA-N
MW324.34 g/mol
LogP1.45
Rot. Bonds3

About 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454688) has the molecular formula C16H16N6O2 and a molecular weight of 324.34 g/mol. Its IUPAC name is 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454688
Molecular FormulaC16H16N6O2
Molecular Weight324.34 g/mol
Exact Mass324.13
IUPAC Name5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cnn(C3COC3)c2)nc2c(C#N)c[nH]n2c1=O
InChIInChI=1S/C16H16N6O2/c1-9(2)13-14(11-5-18-21(6-11)12-7-24-8-12)20-15-10(3-17)4-19-22(15)16(13)23/h4-6,9,12,19H,7-8H2,1-2H3
InChIKeyLJUDVVOBOMJGBR-UHFFFAOYSA-N
XLogP1.45
TPSA101.00 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.34
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454688) is 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cnn(C3COC3)c2)nc2c(C#N)c[nH]n2c1=O.
What is the InChIKey of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is LJUDVVOBOMJGBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O2/c1-9(2)13-14(11-5-18-21(6-11)12-7-24-8-12)20-15-10(3-17)4-19-22(15)16(13)23/h4-6,9,12,19H,7-8H2,1-2H3.
What are the key properties of 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 324.34 g/mol, XLogP of 1.45, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(oxetan-3-yl)pyrazol-4-yl]-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).