4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

C12H14N4O — CID 90454590

IUPAC4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CC)c2c(C#N)cnn2c1=O
InChIInChI=1S/C12H14N4O/c1-4-10-8(3)15(5-2)11-9(6-13)7-14-16(11)12(10)17/h7H,4-5H2,1-3H3
InChIKeyZZLADPXJZCPPLD-UHFFFAOYSA-N
MW230.27 g/mol
LogP1.26
Rot. Bonds2

About 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile

4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (PubChem CID 90454590) has the molecular formula C12H14N4O and a molecular weight of 230.27 g/mol. Its IUPAC name is 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.

Molecular Properties

Compound Name4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
PubChem CID90454590
Molecular FormulaC12H14N4O
Molecular Weight230.27 g/mol
Exact Mass230.12
IUPAC Name4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile
SMILESCCc1c(C)n(CC)c2c(C#N)cnn2c1=O
InChIInChI=1S/C12H14N4O/c1-4-10-8(3)15(5-2)11-9(6-13)7-14-16(11)12(10)17/h7H,4-5H2,1-3H3
InChIKeyZZLADPXJZCPPLD-UHFFFAOYSA-N
XLogP1.26
TPSA63.09 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 51.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The IUPAC name of 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile (CID 90454590) is 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile.
What is the SMILES notation for 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The canonical SMILES for 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is CCc1c(C)n(CC)c2c(C#N)cnn2c1=O.
What is the InChIKey of 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
The InChIKey is ZZLADPXJZCPPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O/c1-4-10-8(3)15(5-2)11-9(6-13)7-14-16(11)12(10)17/h7H,4-5H2,1-3H3.
What are the key properties of 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile?
4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile has a molecular weight of 230.27 g/mol, XLogP of 1.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-diethyl-5-methyl-7-oxopyrazolo[1,5-a]pyrimidine-3-carbonitrile is sourced from PubChem (CID 90454590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).