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

C14H14N6O — CID 78426565

IUPAC4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cn[nH]c2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C14H14N6O/c1-8(2)11-12(10-5-16-17-6-10)19(3)13-9(4-15)7-18-20(13)14(11)21/h5-8H,1-3H3,(H,16,17)
InChIKeyBVEUXKSACBNKIV-UHFFFAOYSA-N
MW282.31 g/mol
LogP1.42
Rot. Bonds2

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

4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78426565) has the molecular formula C14H14N6O and a molecular weight of 282.31 g/mol. Its IUPAC name is 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78426565
Molecular FormulaC14H14N6O
Molecular Weight282.31 g/mol
Exact Mass282.12
IUPAC Name4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)c1c(-c2cn[nH]c2)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C14H14N6O/c1-8(2)11-12(10-5-16-17-6-10)19(3)13-9(4-15)7-18-20(13)14(11)21/h5-8H,1-3H3,(H,16,17)
InChIKeyBVEUXKSACBNKIV-UHFFFAOYSA-N
XLogP1.42
TPSA91.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78426565) is 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)c1c(-c2cn[nH]c2)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is BVEUXKSACBNKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N6O/c1-8(2)11-12(10-5-16-17-6-10)19(3)13-9(4-15)7-18-20(13)14(11)21/h5-8H,1-3H3,(H,16,17).
What are the key properties of 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 282.31 g/mol, XLogP of 1.42, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-7-oxo-6-propan-2-yl-5-(1H-pyrazol-4-yl)pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78426565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).