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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Related Compounds

5-amino-1-(4-hydroxy-6-methylpyrimidin-2-yl)-1H-pyrazole-4-carbonitrile
CID 135422474
6-Ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78425992
4-(2-(Dimethylamino)ethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426132
US10118930, Example 287
CID 137018301
US10118930, Example 19
CID 137018318
US10118930, Example 324
CID 137018323
US10118930, Example 65
CID 137018334
US10118930, Example 342
CID 137018378
US10118930, Example 265
CID 137018641
US10118930, Example 363
CID 137018659
US10118930, Example 15
CID 137018672
US10118930, Example 14
CID 137018673

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).