methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate

C23H25N3O4 — CID 9277967

IUPACmethyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C23H25N3O4/c1-15-4-8-17(9-5-15)12-26-13-19(22(28)24-20(14-27)23(29)30-3)21(25-26)18-10-6-16(2)7-11-18/h4-11,13,20,27H,12,14H2,1-3H3,(H,24,28)/t20-/m1/s1
InChIKeySXJKLHDKFNWDAD-HXUWFJFHSA-N
MW407.47 g/mol
LogP2.48
Rot. Bonds7

About methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate

methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate (PubChem CID 9277967) has the molecular formula C23H25N3O4 and a molecular weight of 407.47 g/mol. Its IUPAC name is methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
PubChem CID9277967
Molecular FormulaC23H25N3O4
Molecular Weight407.47 g/mol
Exact Mass407.18
IUPAC Namemethyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate
SMILESCOC(=O)[C@@H](CO)NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1
InChIInChI=1S/C23H25N3O4/c1-15-4-8-17(9-5-15)12-26-13-19(22(28)24-20(14-27)23(29)30-3)21(25-26)18-10-6-16(2)7-11-18/h4-11,13,20,27H,12,14H2,1-3H3,(H,24,28)/t20-/m1/s1
InChIKeySXJKLHDKFNWDAD-HXUWFJFHSA-N
XLogP2.48
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate with MolForge

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Related Compounds

methyl (2S)-2-[[3-(4-ethylphenyl)-1-(2-methylphenyl)pyrazole-4-carbonyl]amino]-3-hydroxypropanoate
CID 9277921
1-benzyl-N-(2-hydroxypropyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 78803173
[(2R)-1-(carbamoylamino)-1-oxopropan-2-yl] 3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carboxylate
CID 8949404
3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]-N-(4-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 25478247
1-benzyl-N-[3-(methylamino)propyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 119429455
N-(3-amino-2-methylpropyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide;hydrochloride
CID 119995333
propan-2-yl 2-[[1-benzyl-3-(4-methylphenyl)pyrazole-4-carbonyl]amino]acetate
CID 56550784
N-(4-acetamidophenyl)-1-benzyl-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18204910
methyl 2-[(3-ethyl-1-methylpyrazole-4-carbonyl)amino]-3-hydroxypropanoate
CID 104964317
1-benzyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]-3-phenylpyrazole-4-carboxamide
CID 9301580
1-benzyl-N-(2,4-dimethylphenyl)-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 18268437
1-benzyl-N-[2-(ethylamino)-2-oxoethyl]-3-(4-methylphenyl)pyrazole-4-carboxamide
CID 9224501

Frequently Asked Questions

What is the IUPAC name of methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
The IUPAC name of methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate (CID 9277967) is methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate.
What is the SMILES notation for methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
The canonical SMILES for methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate is COC(=O)[C@@H](CO)NC(=O)c1cn(Cc2ccc(C)cc2)nc1-c1ccc(C)cc1.
What is the InChIKey of methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
The InChIKey is SXJKLHDKFNWDAD-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H25N3O4/c1-15-4-8-17(9-5-15)12-26-13-19(22(28)24-20(14-27)23(29)30-3)21(25-26)18-10-6-16(2)7-11-18/h4-11,13,20,27H,12,14H2,1-3H3,(H,24,28)/t20-/m1/s1.
What are the key properties of methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate?
methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate has a molecular weight of 407.47 g/mol, XLogP of 2.48, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (2R)-3-hydroxy-2-[[3-(4-methylphenyl)-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]propanoate is sourced from PubChem (CID 9277967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).