6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

C11H12N4O — CID 78425992

IUPAC6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C11H12N4O/c1-4-9-7(2)14(3)10-8(5-12)6-13-15(10)11(9)16/h6H,4H2,1-3H3
InChIKeySLEOACXKTVIFEP-UHFFFAOYSA-N
MW216.24 g/mol
LogP0.78
Rot. Bonds1

About 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 78425992) has the molecular formula C11H12N4O and a molecular weight of 216.24 g/mol. Its IUPAC name is 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID78425992
Molecular FormulaC11H12N4O
Molecular Weight216.24 g/mol
Exact Mass216.10
IUPAC Name6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C11H12N4O/c1-4-9-7(2)14(3)10-8(5-12)6-13-15(10)11(9)16/h6H,4H2,1-3H3
InChIKeySLEOACXKTVIFEP-UHFFFAOYSA-N
XLogP0.78
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.24
LogP ≤ 50.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-(Dimethylamino)ethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 78426132
4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135488828
4-Methyl-6,7-di(propan-2-yl)pyrazolo[1,5-a]pyrimidin-5-one
CID 67949176
6-Ethyl-5-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrrolo[1,2-c]pyrimidine-1-carbonitrile
CID 78426133
3-Cyano-6-ethyl-4-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 78426699
4-Methyl-9-oxo-5,6,7,8-tetrahydropyrazolo[5,1-b]quinazoline-3-carbonitrile
CID 78428030
4-(2-Bromoethyl)-6-ethyl-5-methyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90417723
3-Cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 90419500
Ethyl 3-cyano-6-ethyl-4-methyl-7-oxo-pyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 90419607
3-cyano-6-ethyl-N,4-dimethyl-7-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-5-carboxamide
CID 90419819
5,8-Dimethyl-2,6-dioxo-1,5,8,12-tetrazatricyclo[7.3.0.03,7]dodeca-3(7),9,11-triene-10-carbonitrile
CID 90454572
6-Ethyl-4-(2-methoxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454585

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 78425992) is 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(C)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is SLEOACXKTVIFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O/c1-4-9-7(2)14(3)10-8(5-12)6-13-15(10)11(9)16/h6H,4H2,1-3H3.
What are the key properties of 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 216.24 g/mol, XLogP of 0.78, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4,5-dimethyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 78425992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).