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

C59H66N14O7 — CID 160951937

IUPACN-(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
SMILESCC(=O)Nc1cccc(C(=O)/C=C/N(C)C)c1.CC(=O)Nc1cccc(C(C)=O)c1.CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1.CCN(C(C)=O)c1cccc(C(=O)/C=C/N(C)C)c1.N#Cc1cn[nH]c1N
InChIInChI=1S/C17H15N5O.C15H20N2O2.C13H16N2O2.C10H11NO2.C4H4N4/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17;1-5-17(12(2)18)14-8-6-7-13(11-14)15(19)9-10-16(3)4;1-10(16)14-12-6-4-5-11(9-12)13(17)7-8-15(2)3;1-7(12)9-4-3-5-10(6-9)11-8(2)13;5-1-3-2-7-8-4(3)6/h4-9,11H,3H2,1-2H3;6-11H,5H2,1-4H3;4-9H,1-3H3,(H,14,16);3-6H,1-2H3,(H,11,13);2H,(H3,6,7,8)/b;10-9+;8-7+;;
InChIKeySVWJQGHUNWHGDJ-USDKCKROSA-N
MW1083.27 g/mol
LogP8.57
Rot. Bonds14

About 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

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 (PubChem CID 160951937) has the molecular formula C59H66N14O7 and a molecular weight of 1083.27 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound NameN-(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
PubChem CID160951937
Molecular FormulaC59H66N14O7
Molecular Weight1083.27 g/mol
Exact Mass1082.52
IUPAC NameN-(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
SMILESCC(=O)Nc1cccc(C(=O)/C=C/N(C)C)c1.CC(=O)Nc1cccc(C(C)=O)c1.CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1.CCN(C(C)=O)c1cccc(C(=O)/C=C/N(C)C)c1.N#Cc1cn[nH]c1N
InChIInChI=1S/C17H15N5O.C15H20N2O2.C13H16N2O2.C10H11NO2.C4H4N4/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17;1-5-17(12(2)18)14-8-6-7-13(11-14)15(19)9-10-16(3)4;1-10(16)14-12-6-4-5-11(9-12)13(17)7-8-15(2)3;1-7(12)9-4-3-5-10(6-9)11-8(2)13;5-1-3-2-7-8-4(3)6/h4-9,11H,3H2,1-2H3;6-11H,5H2,1-4H3;4-9H,1-3H3,(H,14,16);3-6H,1-2H3,(H,11,13);2H,(H3,6,7,8)/b;10-9+;8-7+;;
InChIKeySVWJQGHUNWHGDJ-USDKCKROSA-N
XLogP8.57
TPSA288.98 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms80
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001083.27
LogP ≤ 58.57
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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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
N-tert-butyl-N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-3-oxobutanamide
CID 87173811
(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
3-[3-[acetyl(ethyl)amino]phenyl]-N-(4-cyano-1H-pyrazol-5-yl)-3-oxopropanamide
CID 169436964
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-5-yl)phenyl]-N-ethylacetamide;methane
CID 159810489
N-[5-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)-2-fluorophenyl]-N-methylacetamide
CID 24805140
N-[3-(3-cyanopyrazolo[1,5-a]pyrimidin-7-yl)phenyl]-N-ethylacetamide;cyclopentyl N-[3-[[2-methoxy-4-[(2-methylphenyl)sulfonylcarbamoyl]phenyl]methyl]-1-methylindol-5-yl]carbamate
CID 67043163
[1-(3-acetylanilino)-1-oxopropan-2-yl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 55665722
3-(dimethylamino)-1-[3-(methylamino)phenyl]prop-2-en-1-one
CID 67198189

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC(=O)Nc1cccc(C(=O)/C=C/N(C)C)c1.CC(=O)Nc1cccc(C(C)=O)c1.CCN(C(C)=O)c1cccc(-c2ccnc3c(C#N)cnn23)c1.CCN(C(C)=O)c1cccc(C(=O)/C=C/N(C)C)c1.N#Cc1cn[nH]c1N.
What is the InChIKey of 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?
The InChIKey is SVWJQGHUNWHGDJ-USDKCKROSA-N. The full InChI is InChI=1S/C17H15N5O.C15H20N2O2.C13H16N2O2.C10H11NO2.C4H4N4/c1-3-21(12(2)23)15-6-4-5-13(9-15)16-7-8-19-17-14(10-18)11-20-22(16)17;1-5-17(12(2)18)14-8-6-7-13(11-14)15(19)9-10-16(3)4;1-10(16)14-12-6-4-5-11(9-12)13(17)7-8-15(2)3;1-7(12)9-4-3-5-10(6-9)11-8(2)13;5-1-3-2-7-8-4(3)6/h4-9,11H,3H2,1-2H3;6-11H,5H2,1-4H3;4-9H,1-3H3,(H,14,16);3-6H,1-2H3,(H,11,13);2H,(H3,6,7,8)/b;10-9+;8-7+;;.
What are the key properties of 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?
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 has a molecular weight of 1083.27 g/mol, XLogP of 8.57, 14 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160951937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).