7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

C11H12N4O — CID 137004056

IUPAC7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)Cc1cc(=O)[nH]c2c(C#N)cnn12
InChIInChI=1S/C11H12N4O/c1-7(2)3-9-4-10(16)14-11-8(5-12)6-13-15(9)11/h4,6-7H,3H2,1-2H3,(H,14,16)
InChIKeyDKIJFAURKPMMAE-UHFFFAOYSA-N
MW216.24 g/mol
LogP1.09
Rot. Bonds2

About 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile

7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 137004056) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID137004056
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCC(C)Cc1cc(=O)[nH]c2c(C#N)cnn12
InChIInChI=1S/C11H12N4O/c1-7(2)3-9-4-10(16)14-11-8(5-12)6-13-15(9)11/h4,6-7H,3H2,1-2H3,(H,14,16)
InChIKeyDKIJFAURKPMMAE-UHFFFAOYSA-N
XLogP1.09
TPSA73.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 137004056) is 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is CC(C)Cc1cc(=O)[nH]c2c(C#N)cnn12.
What is the InChIKey of 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is DKIJFAURKPMMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-7(2)3-9-4-10(16)14-11-8(5-12)6-13-15(9)11/h4,6-7H,3H2,1-2H3,(H,14,16).
What are the key properties of 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile?
7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 216.24 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2-methylpropyl)-5-oxo-4H-pyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 137004056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).