methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate

C27H25N3O4 — CID 58748843

IUPACmethyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C27H25N3O4/c1-33-27(32)25(16-19-8-4-2-5-9-19)28-26(31)24-17-23(29-30-24)21-12-14-22(15-13-21)34-18-20-10-6-3-7-11-20/h2-15,17,25H,16,18H2,1H3,(H,28,31)(H,29,30)
InChIKeyLNLRIGPSKHLHRY-UHFFFAOYSA-N
MW455.51 g/mol
LogP4.17
Rot. Bonds9

About methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate

methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate (PubChem CID 58748843) has the molecular formula C27H25N3O4 and a molecular weight of 455.51 g/mol. Its IUPAC name is methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
PubChem CID58748843
Molecular FormulaC27H25N3O4
Molecular Weight455.51 g/mol
Exact Mass455.18
IUPAC Namemethyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate
SMILESCOC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1
InChIInChI=1S/C27H25N3O4/c1-33-27(32)25(16-19-8-4-2-5-9-19)28-26(31)24-17-23(29-30-24)21-12-14-22(15-13-21)34-18-20-10-6-3-7-11-20/h2-15,17,25H,16,18H2,1H3,(H,28,31)(H,29,30)
InChIKeyLNLRIGPSKHLHRY-UHFFFAOYSA-N
XLogP4.17
TPSA93.31 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.51
LogP ≤ 54.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate with MolForge

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Related Compounds

(2S)-2-[[3-(4-hydroxyphenyl)-1H-pyrazole-5-carbonyl]amino]-3-phenylpropanoic acid
CID 136916526
N-(1-hydroxy-3-phenylpropan-2-yl)-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxamide
CID 91823512
3-(4-ethoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856766
methyl 2-[[4-[(4-phenoxyphenyl)methoxy]benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 77216139
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626
3-(4-chlorophenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 45030415
3-(3-methoxyphenyl)-N-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 46856863
methyl 2-[[4-(2-naphthalen-2-ylethoxy)benzoyl]amino]-3-(4-phenylmethoxyphenyl)propanoate
CID 66912801
3-(4-methoxyphenyl)-N-[(4-phenylmethoxyphenyl)methylideneamino]-1H-pyrazole-5-carboxamide
CID 4527834
methyl (2S)-3-phenyl-2-[[3-[(3-phenylmethoxyphenyl)methoxy]benzoyl]amino]propanoate
CID 66912841
methyl 3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoate;3-phenyl-2-[(6-phenylmethoxynaphthalene-2-carbonyl)amino]propanoic acid
CID 160873206
3-(4-methoxyphenyl)-N-(4-phenylbutan-2-yl)-1H-pyrazole-5-carboxamide
CID 20918247

Frequently Asked Questions

What is the IUPAC name of methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate?
The IUPAC name of methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate (CID 58748843) is methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate.
What is the SMILES notation for methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate?
The canonical SMILES for methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate is COC(=O)C(Cc1ccccc1)NC(=O)c1cc(-c2ccc(OCc3ccccc3)cc2)n[nH]1.
What is the InChIKey of methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate?
The InChIKey is LNLRIGPSKHLHRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25N3O4/c1-33-27(32)25(16-19-8-4-2-5-9-19)28-26(31)24-17-23(29-30-24)21-12-14-22(15-13-21)34-18-20-10-6-3-7-11-20/h2-15,17,25H,16,18H2,1H3,(H,28,31)(H,29,30).
What are the key properties of methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate?
methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate has a molecular weight of 455.51 g/mol, XLogP of 4.17, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-phenyl-2-[[3-(4-phenylmethoxyphenyl)-1H-pyrazole-5-carbonyl]amino]propanoate is sourced from PubChem (CID 58748843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).