3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid

C26H23N3O4 — CID 154750619

IUPAC3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O4/c1-33-21-14-12-19(13-15-21)24-23(17-29(28-24)20-10-6-3-7-11-20)25(30)27-16-22(26(31)32)18-8-4-2-5-9-18/h2-15,17,22H,16H2,1H3,(H,27,30)(H,31,32)
InChIKeyPOXHIHWUSRZKQD-UHFFFAOYSA-N
MW441.49 g/mol
LogP4.15
Rot. Bonds8

About 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid

3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid (PubChem CID 154750619) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid.

Molecular Properties

Compound Name3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
PubChem CID154750619
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid
SMILESCOc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C(=O)O)c2ccccc2)cc1
InChIInChI=1S/C26H23N3O4/c1-33-21-14-12-19(13-15-21)24-23(17-29(28-24)20-10-6-3-7-11-20)25(30)27-16-22(26(31)32)18-8-4-2-5-9-18/h2-15,17,22H,16H2,1H3,(H,27,30)(H,31,32)
InChIKeyPOXHIHWUSRZKQD-UHFFFAOYSA-N
XLogP4.15
TPSA93.45 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-1,3-diphenylpyrazole-4-carboxamide
CID 2475115
3-(4-methoxyphenyl)-N-[2-(4-methoxyphenyl)ethyl]-1-phenylpyrazole-4-carboxamide
CID 18204409
N-[2-(furan-2-yl)-2-hydroxyethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 78867776
3-(4-methoxyphenyl)-N-pentyl-1-phenylpyrazole-4-carboxamide
CID 18205735
N-[(3,5-dimethoxyphenyl)methyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55576920
3-(4-methoxyphenyl)-1-phenyl-N-[2-(pyrimidin-2-ylamino)ethyl]pyrazole-4-carboxamide
CID 55647189
N-(4-methoxyphenyl)-1,3-diphenylpyrazole-4-carboxamide
CID 1217619
ethyl 4-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 1340433
N-[(2S)-2-(furan-2-yl)-2-pyrrolidin-1-ylethyl]-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 40794551
N-(2,5-dimethylpyrazol-3-yl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 55669333
N-(4-ethoxyphenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 70687976
N-(2-bromophenyl)-3-(4-methoxyphenyl)-1-phenylpyrazole-4-carboxamide
CID 23935617

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid?
The IUPAC name of 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid (CID 154750619) is 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid.
What is the SMILES notation for 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid?
The canonical SMILES for 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid is COc1ccc(-c2nn(-c3ccccc3)cc2C(=O)NCC(C(=O)O)c2ccccc2)cc1.
What is the InChIKey of 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid?
The InChIKey is POXHIHWUSRZKQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O4/c1-33-21-14-12-19(13-15-21)24-23(17-29(28-24)20-10-6-3-7-11-20)25(30)27-16-22(26(31)32)18-8-4-2-5-9-18/h2-15,17,22H,16H2,1H3,(H,27,30)(H,31,32).
What are the key properties of 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid?
3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid has a molecular weight of 441.49 g/mol, XLogP of 4.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methoxyphenyl)-1-phenylpyrazole-4-carbonyl]amino]-2-phenylpropanoic acid is sourced from PubChem (CID 154750619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).