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

C15H16N6O — CID 90454577

IUPAC5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)cn1
InChIInChI=1S/C15H16N6O/c1-4-20-8-11(7-17-20)13-12(9(2)3)15(22)21-14(19-13)10(5-16)6-18-21/h6-9,18H,4H2,1-3H3
InChIKeySSJOXJVHAVIWFE-UHFFFAOYSA-N
MW296.33 g/mol
LogP1.90
Rot. Bonds3

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

5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454577) has the molecular formula C15H16N6O and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454577
Molecular FormulaC15H16N6O
Molecular Weight296.33 g/mol
Exact Mass296.14
IUPAC Name5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCn1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)cn1
InChIInChI=1S/C15H16N6O/c1-4-20-8-11(7-17-20)13-12(9(2)3)15(22)21-14(19-13)10(5-16)6-18-21/h6-9,18H,4H2,1-3H3
InChIKeySSJOXJVHAVIWFE-UHFFFAOYSA-N
XLogP1.90
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454577) is 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCn1cc(-c2nc3c(C#N)c[nH]n3c(=O)c2C(C)C)cn1.
What is the InChIKey of 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SSJOXJVHAVIWFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N6O/c1-4-20-8-11(7-17-20)13-12(9(2)3)15(22)21-14(19-13)10(5-16)6-18-21/h6-9,18H,4H2,1-3H3.
What are the key properties of 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 296.33 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-ethylpyrazol-4-yl)-7-oxo-6-propan-2-yl-1H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).