3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide

C12H13N5O2 — CID 78426283

IUPAC3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1nc2c(C#N)c[nH]n2c(=O)c1CC
InChIInChI=1S/C12H13N5O2/c1-3-8-9(11(18)14-4-2)16-10-7(5-13)6-15-17(10)12(8)19/h6,15H,3-4H2,1-2H3,(H,14,18)
InChIKeyQEHWPRROGYRJHR-UHFFFAOYSA-N
MW259.27 g/mol
LogP0.21
Rot. Bonds3

About 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide

3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide (PubChem CID 78426283) has the molecular formula C12H13N5O2 and a molecular weight of 259.27 g/mol. Its IUPAC name is 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide.

Molecular Properties

Compound Name3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
PubChem CID78426283
Molecular FormulaC12H13N5O2
Molecular Weight259.27 g/mol
Exact Mass259.11
IUPAC Name3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide
SMILESCCNC(=O)c1nc2c(C#N)c[nH]n2c(=O)c1CC
InChIInChI=1S/C12H13N5O2/c1-3-8-9(11(18)14-4-2)16-10-7(5-13)6-15-17(10)12(8)19/h6,15H,3-4H2,1-2H3,(H,14,18)
InChIKeyQEHWPRROGYRJHR-UHFFFAOYSA-N
XLogP0.21
TPSA103.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.27
LogP ≤ 50.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The IUPAC name of 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide (CID 78426283) is 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide.
What is the SMILES notation for 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The canonical SMILES for 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide is CCNC(=O)c1nc2c(C#N)c[nH]n2c(=O)c1CC.
What is the InChIKey of 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
The InChIKey is QEHWPRROGYRJHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N5O2/c1-3-8-9(11(18)14-4-2)16-10-7(5-13)6-15-17(10)12(8)19/h6,15H,3-4H2,1-2H3,(H,14,18).
What are the key properties of 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide?
3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide has a molecular weight of 259.27 g/mol, XLogP of 0.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N,6-diethyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-5-carboxamide is sourced from PubChem (CID 78426283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).