N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane

C25H47N5O — CID 159810489

IUPACN-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane
SMILESC.C.C.C.C.C.C.C.CCN(C(C)=O)c1cccc(-c2ccn3ncc(C#N)c3n2)c1
InChIInChI=1S/C17H15N5O.8CH4/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-22-17(20-16)14(10-18)11-19-22;;;;;;;;/h4-9,11H,3H2,1-2H3;8*1H4
InChIKeyNKYOQRYBCOCIEH-UHFFFAOYSA-N
MW433.69 g/mol
LogP7.73
Rot. Bonds3

About N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane

N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane (PubChem CID 159810489) has the molecular formula C25H47N5O and a molecular weight of 433.69 g/mol. Its IUPAC name is N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane.

Molecular Properties

Compound NameN-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane
PubChem CID159810489
Molecular FormulaC25H47N5O
Molecular Weight433.69 g/mol
Exact Mass433.38
IUPAC NameN-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane
SMILESC.C.C.C.C.C.C.C.CCN(C(C)=O)c1cccc(-c2ccn3ncc(C#N)c3n2)c1
InChIInChI=1S/C17H15N5O.8CH4/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-22-17(20-16)14(10-18)11-19-22;;;;;;;;/h4-9,11H,3H2,1-2H3;8*1H4
InChIKeyNKYOQRYBCOCIEH-UHFFFAOYSA-N
XLogP7.73
TPSA74.29 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500433.69
LogP ≤ 57.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

7-[3-[ethyl(prop-1-en-2-yl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carbonitrile
CID 143687755
7-[3-[acetyl(ethyl)amino]phenyl]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 46196965
N-ethyl-N-[3-[3-(methylaminomethyl)pyrazolo[1,5-a]pyrimidin-7-yl]phenyl]acetamide
CID 71526053
N-[3-(3-benzoylpyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide
CID 13476003
3-[3-[acetyl(ethyl)amino]phenyl]-N-(4-cyano-1H-pyrazol-5-yl)-3-oxopropanamide
CID 169436964
(E)-2-methyl-4-(5-phenylpyrazolo[1,5-a]pyrimidin-3-yl)but-2-enoic acid
CID 142366069
N-[3-[3-[(4-cyano-1H-pyrazol-5-yl)imino]propanoyl]phenyl]-N-ethylacetamide
CID 70337335
N-(3-acetylphenyl)acetamide;5-amino-1H-pyrazole-4-carbonitrile;N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]acetamide;N-[3-[(E)-3-(dimethylamino)prop-2-enoyl]phenyl]-N-ethylacetamide
CID 160951937
(2R)-2-amino-3-hydroxypropanoic acid;N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;methyl 2-phenyl-2-piperidin-2-ylacetate
CID 68832154
N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811
N-[2-chloro-5-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)-3-pyridinyl]pyridine-3-sulfonamide
CID 78318715
N-benzyl-N-[3-[1-(dimethylamino)-2-ethylimidazol-4-yl]phenyl]acetamide
CID 70166673

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane?
The IUPAC name of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane (CID 159810489) is N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane.
What is the SMILES notation for N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane?
The canonical SMILES for N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane is C.C.C.C.C.C.C.C.CCN(C(C)=O)c1cccc(-c2ccn3ncc(C#N)c3n2)c1.
What is the InChIKey of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane?
The InChIKey is NKYOQRYBCOCIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N5O.8CH4/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-22-17(20-16)14(10-18)11-19-22;;;;;;;;/h4-9,11H,3H2,1-2H3;8*1H4.
What are the key properties of N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane?
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane has a molecular weight of 433.69 g/mol, XLogP of 7.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane is sourced from PubChem (CID 159810489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).