5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen

C30H37FN4O2 — CID 165122209

IUPAC5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen
SMILESCCc1ccnn1C.Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)c2ccc(F)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C24H23FN2O2.C6H10N2.2H2/c1-17-8-14-21(15-9-17)26-23(28)22(16-18-6-4-3-5-7-18)27(2)24(29)19-10-12-20(25)13-11-19;1-3-6-4-5-7-8(6)2;;/h3-15,22H,16H2,1-2H3,(H,26,28);4-5H,3H2,1-2H3;2*1H/t22-;;;/m0.../s1
InChIKeyZKZNLDNNBWKLDT-NNUMAELLSA-N
MW504.65 g/mol
LogP5.93
Rot. Bonds7

About 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen

5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen (PubChem CID 165122209) has the molecular formula C30H37FN4O2 and a molecular weight of 504.65 g/mol. Its IUPAC name is 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen.

Molecular Properties

Compound Name5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen
PubChem CID165122209
Molecular FormulaC30H37FN4O2
Molecular Weight504.65 g/mol
Exact Mass504.29
IUPAC Name5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen
SMILESCCc1ccnn1C.Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)c2ccc(F)cc2)cc1.[H][H].[H][H]
InChIInChI=1S/C24H23FN2O2.C6H10N2.2H2/c1-17-8-14-21(15-9-17)26-23(28)22(16-18-6-4-3-5-7-18)27(2)24(29)19-10-12-20(25)13-11-19;1-3-6-4-5-7-8(6)2;;/h3-15,22H,16H2,1-2H3,(H,26,28);4-5H,3H2,1-2H3;2*1H/t22-;;;/m0.../s1
InChIKeyZKZNLDNNBWKLDT-NNUMAELLSA-N
XLogP5.93
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.65
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-fluoro-N-methyl-N-[1-[4-(oxetan-3-ylsulfinamoyl)anilino]-1-oxo-3-phenylpropan-2-yl]benzamide
CID 156652914
N-[(2S)-1-(4-benzylsulfanylanilino)-1-oxo-3-phenylpropan-2-yl]-4-fluoro-N-methylbenzamide;4-[[(2S)-2-[(4-fluorobenzoyl)-methylamino]-3-phenylpropanoyl]amino]benzenesulfonyl chloride;methane
CID 167613195
N-[1-[4-(ethylaminosulfanyl)anilino]-1-oxo-3-pyridin-3-ylpropan-2-yl]-4-fluoro-N-methylbenzamide
CID 156652761
(2S)-N-(4-fluorophenyl)-2-[(4-methylphenyl)sulfonylamino]-3-phenylpropanamide
CID 1208444
2-bromo-N-(4-methylphenyl)-3-phenylpropanamide
CID 43845154
(2S)-N-(4-fluorophenyl)-2-(iodoamino)-3-phenylpropanamide
CID 163435267
N-benzyl-N-[(1S)-2-(4-fluoroanilino)-1-(4-methylphenyl)-2-oxoethyl]pyrazine-2-carboxamide
CID 1435482
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
2-amino-N-[(2-methylpyrazol-3-yl)methyl]-3-phenylpropanamide;hydrochloride
CID 119291636
N-ethyl-2-[(4-fluorophenyl)methyl-[2-(4-methylphenyl)acetyl]amino]-3-phenylpropanamide
CID 132610904
2-[amino(benzoyl)amino]-N,3-diphenylpropanamide
CID 118301380
N-[4-[2-(dimethylamino)-3-phenylpropanoyl]phenyl]acetamide
CID 4534125

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen?
The IUPAC name of 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen (CID 165122209) is 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen.
What is the SMILES notation for 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen?
The canonical SMILES for 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen is CCc1ccnn1C.Cc1ccc(NC(=O)[C@H](Cc2ccccc2)N(C)C(=O)c2ccc(F)cc2)cc1.[H][H].[H][H].
What is the InChIKey of 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen?
The InChIKey is ZKZNLDNNBWKLDT-NNUMAELLSA-N. The full InChI is InChI=1S/C24H23FN2O2.C6H10N2.2H2/c1-17-8-14-21(15-9-17)26-23(28)22(16-18-6-4-3-5-7-18)27(2)24(29)19-10-12-20(25)13-11-19;1-3-6-4-5-7-8(6)2;;/h3-15,22H,16H2,1-2H3,(H,26,28);4-5H,3H2,1-2H3;2*1H/t22-;;;/m0.../s1.
What are the key properties of 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen?
5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen has a molecular weight of 504.65 g/mol, XLogP of 5.93, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-1-methylpyrazole;4-fluoro-N-methyl-N-[(2S)-1-(4-methylanilino)-1-oxo-3-phenylpropan-2-yl]benzamide;molecular hydrogen is sourced from PubChem (CID 165122209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).