5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane

C24H29N5O3 — CID 153385393

IUPAC5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane
SMILESC=Cc1cccc(-c2[nH]ncc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c1N.CC
InChIInChI=1S/C22H23N5O3.C2H6/c1-2-14-9-6-10-15(18(14)23)19-16(12-25-27-19)22(30)26-17(20(28)21(24)29)11-13-7-4-3-5-8-13;1-2/h2-10,12,17,20,28H,1,11,23H2,(H2,24,29)(H,25,27)(H,26,30);1-2H3
InChIKeyDVPSBXYOVRDSNA-UHFFFAOYSA-N
MW435.53 g/mol
LogP2.52
Rot. Bonds8

About 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane

5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane (PubChem CID 153385393) has the molecular formula C24H29N5O3 and a molecular weight of 435.53 g/mol. Its IUPAC name is 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane.

Molecular Properties

Compound Name5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane
PubChem CID153385393
Molecular FormulaC24H29N5O3
Molecular Weight435.53 g/mol
Exact Mass435.23
IUPAC Name5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane
SMILESC=Cc1cccc(-c2[nH]ncc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c1N.CC
InChIInChI=1S/C22H23N5O3.C2H6/c1-2-14-9-6-10-15(18(14)23)19-16(12-25-27-19)22(30)26-17(20(28)21(24)29)11-13-7-4-3-5-8-13;1-2/h2-10,12,17,20,28H,1,11,23H2,(H2,24,29)(H,25,27)(H,26,30);1-2H3
InChIKeyDVPSBXYOVRDSNA-UHFFFAOYSA-N
XLogP2.52
TPSA147.12 Ų
H-Bond Donors5
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.53
LogP ≤ 52.52
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-bromo-1-methylpyrazole-4-carboxamide
CID 153484051
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-3-phenylimidazole-4-carboxamide;ethane
CID 142316945
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyrazin-2-ylpyrazole-4-carboxamide
CID 164775131
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-1-methyl-5-pyridin-4-ylpyrazole-4-carboxamide
CID 134397359
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)dibenzofuran-4-carboxamide
CID 153386321
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1-methyl-3-[1-(2-trimethylsilylethoxymethyl)indazol-7-yl]pyrazole-4-carboxamide
CID 155764873
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-5-methyl-2-pyrimidin-2-ylpyrazole-3-carboxamide
CID 134396791
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-methyl-4-phenyl-1,3-oxazole-5-carboxamide
CID 142753794
N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-2-[(E)-2-[4-[(dimethylamino)methyl]phenyl]ethenyl]pyridine-3-carboxamide
CID 11733202
ethenyl (2S)-2-benzamido-3-phenylpropanoate
CID 90679313
N-[(2S)-4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl]-2-[3-(2-fluorophenyl)phenyl]-5-methylpyrazole-3-carboxamide
CID 153484147
N-[(3S)-1-amino-2-hydroxy-1-oxohex-5-en-3-yl]-1-methyl-3-phenylpyrazole-4-carboxamide
CID 134397420

Frequently Asked Questions

What is the IUPAC name of 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane?
The IUPAC name of 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane (CID 153385393) is 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane.
What is the SMILES notation for 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane?
The canonical SMILES for 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane is C=Cc1cccc(-c2[nH]ncc2C(=O)NC(Cc2ccccc2)C(O)C(N)=O)c1N.CC.
What is the InChIKey of 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane?
The InChIKey is DVPSBXYOVRDSNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O3.C2H6/c1-2-14-9-6-10-15(18(14)23)19-16(12-25-27-19)22(30)26-17(20(28)21(24)29)11-13-7-4-3-5-8-13;1-2/h2-10,12,17,20,28H,1,11,23H2,(H2,24,29)(H,25,27)(H,26,30);1-2H3.
What are the key properties of 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane?
5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane has a molecular weight of 435.53 g/mol, XLogP of 2.52, 8 rotatable bonds, 5 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-amino-3-ethenylphenyl)-N-(4-amino-3-hydroxy-4-oxo-1-phenylbutan-2-yl)-1H-pyrazole-4-carboxamide;ethane is sourced from PubChem (CID 153385393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).