N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide

C17H15N5O2 — CID 135465917

IUPACN-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cccc(-c2cc(=O)[nH]c3c(C#N)cnn23)c1
InChIInChI=1S/C17H15N5O2/c1-3-21(11(2)23)14-6-4-5-12(7-14)15-8-16(24)20-17-13(9-18)10-19-22(15)17/h4-8,10H,3H2,1-2H3,(H,20,24)
InChIKeyLUFPEMFJYAYYDI-UHFFFAOYSA-N
MW321.34 g/mol
LogP1.93
Rot. Bonds3

About N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide

N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide (PubChem CID 135465917) has the molecular formula C17H15N5O2 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide.

Molecular Properties

Compound NameN-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
PubChem CID135465917
Molecular FormulaC17H15N5O2
Molecular Weight321.34 g/mol
Exact Mass321.12
IUPAC NameN-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
SMILESCCN(C(C)=O)c1cccc(-c2cc(=O)[nH]c3c(C#N)cnn23)c1
InChIInChI=1S/C17H15N5O2/c1-3-21(11(2)23)14-6-4-5-12(7-14)15-8-16(24)20-17-13(9-18)10-19-22(15)17/h4-8,10H,3H2,1-2H3,(H,20,24)
InChIKeyLUFPEMFJYAYYDI-UHFFFAOYSA-N
XLogP1.93
TPSA94.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
The IUPAC name of N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide (CID 135465917) is N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide.
What is the SMILES notation for N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
The canonical SMILES for N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide is CCN(C(C)=O)c1cccc(-c2cc(=O)[nH]c3c(C#N)cnn23)c1.
What is the InChIKey of N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
The InChIKey is LUFPEMFJYAYYDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O2/c1-3-21(11(2)23)14-6-4-5-12(7-14)15-8-16(24)20-17-13(9-18)10-19-22(15)17/h4-8,10H,3H2,1-2H3,(H,20,24).
What are the key properties of N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide?
N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide has a molecular weight of 321.34 g/mol, XLogP of 1.93, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyano-5-oxo-4H-pyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide is sourced from PubChem (CID 135465917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).