3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide

C11H11N5O2 — CID 78426699

IUPAC3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1c(C(N)=O)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C11H11N5O2/c1-3-7-8(9(13)17)15(2)10-6(4-12)5-14-16(10)11(7)18/h5H,3H2,1-2H3,(H2,13,17)
InChIKeyCTOXEDDAMVACQM-UHFFFAOYSA-N
MW245.24 g/mol
LogP-0.43
Rot. Bonds2

About 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide

3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 78426699) has the molecular formula C11H11N5O2 and a molecular weight of 245.24 g/mol. Its IUPAC name is 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID78426699
Molecular FormulaC11H11N5O2
Molecular Weight245.24 g/mol
Exact Mass245.09
IUPAC Name3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCc1c(C(N)=O)n(C)c2c(C#N)cnn2c1=O
InChIInChI=1S/C11H11N5O2/c1-3-7-8(9(13)17)15(2)10-6(4-12)5-14-16(10)11(7)18/h5H,3H2,1-2H3,(H2,13,17)
InChIKeyCTOXEDDAMVACQM-UHFFFAOYSA-N
XLogP-0.43
TPSA106.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.24
LogP ≤ 5-0.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

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
4-amino-1-methyl-6-oxo-7H-pyrazolo[5,4-b]pyridine-5-carbonitrile
CID 135488828
6-Ethyl-5-oxo-5,7,8,9-tetrahydropyrazolo[1,5-a]pyrrolo[1,2-c]pyrimidine-1-carbonitrile
CID 78426133
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
4-(Cyclopropylmethyl)-6-ethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 90454587

Frequently Asked Questions

What is the IUPAC name of 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 78426699) is 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide is CCc1c(C(N)=O)n(C)c2c(C#N)cnn2c1=O.
What is the InChIKey of 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is CTOXEDDAMVACQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O2/c1-3-7-8(9(13)17)15(2)10-6(4-12)5-14-16(10)11(7)18/h5H,3H2,1-2H3,(H2,13,17).
What are the key properties of 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 245.24 g/mol, XLogP of -0.43, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-6-ethyl-4-methyl-7-oxopyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 78426699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).