6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

C12H14N4O2 — CID 90454588

IUPAC6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CCO)c2c(C#N)cnn2c1=O
InChIInChI=1S/C12H14N4O2/c1-3-10-8(2)15(4-5-17)11-9(6-13)7-14-16(11)12(10)18/h7,17H,3-5H2,1-2H3
InChIKeyURISSSPPFZVXSX-UHFFFAOYSA-N
MW246.27 g/mol
LogP0.23
Rot. Bonds3

About 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454588) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454588
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CCO)c2c(C#N)cnn2c1=O
InChIInChI=1S/C12H14N4O2/c1-3-10-8(2)15(4-5-17)11-9(6-13)7-14-16(11)12(10)18/h7,17H,3-5H2,1-2H3
InChIKeyURISSSPPFZVXSX-UHFFFAOYSA-N
XLogP0.23
TPSA83.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 50.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454588) is 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(C)n(CCO)c2c(C#N)cnn2c1=O.
What is the InChIKey of 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is URISSSPPFZVXSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-3-10-8(2)15(4-5-17)11-9(6-13)7-14-16(11)12(10)18/h7,17H,3-5H2,1-2H3.
What are the key properties of 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 246.27 g/mol, XLogP of 0.23, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-4-(2-hydroxyethyl)-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).