methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate

C24H21N3O4 — CID 55538260

IUPACmethyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(C)c1
InChIInChI=1S/C24H21N3O4/c1-15-13-17(24(29)30-3)10-11-20(15)25-23(28)19-14-27(18-7-5-4-6-8-18)26-22(19)21-12-9-16(2)31-21/h4-14H,1-3H3,(H,25,28)
InChIKeyAYKIDOFKFULDDZ-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.79
Rot. Bonds5

About methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate

methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (PubChem CID 55538260) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
PubChem CID55538260
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Namemethyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(C)c1
InChIInChI=1S/C24H21N3O4/c1-15-13-17(24(29)30-3)10-11-20(15)25-23(28)19-14-27(18-7-5-4-6-8-18)26-22(19)21-12-9-16(2)31-21/h4-14H,1-3H3,(H,25,28)
InChIKeyAYKIDOFKFULDDZ-UHFFFAOYSA-N
XLogP4.79
TPSA86.36 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

methyl 4-chloro-3-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate
CID 55338476
3-(5-methylfuran-2-yl)-1-phenyl-N-(2,3,4-trifluorophenyl)pyrazole-4-carboxamide
CID 31279912
N-(4-carbamoyl-3-methylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 56518331
N-(5-chloro-2,4-dimethoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31287113
N-(4-acetylphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31130909
N-(4-methoxyphenyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31131413
N-(3-methylbutyl)-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 31435539
N-butyl-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 34230439
N-[2-(4-methoxyphenoxy)ethyl]-3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carboxamide
CID 55416323
methyl 3-[[3-(5-bromothiophen-2-yl)-1-phenylpyrazole-4-carbonyl]amino]-4-methoxybenzoate
CID 142738655
3-(5-methylfuran-2-yl)-1-phenyl-N'-(1H-pyrrole-2-carbonyl)pyrazole-4-carbohydrazide
CID 78812981
N-(2,4-dimethoxyphenyl)-3-(2-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 51548267

Frequently Asked Questions

What is the IUPAC name of methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate (CID 55538260) is methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cn(-c3ccccc3)nc2-c2ccc(C)o2)c(C)c1.
What is the InChIKey of methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
The InChIKey is AYKIDOFKFULDDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-15-13-17(24(29)30-3)10-11-20(15)25-23(28)19-14-27(18-7-5-4-6-8-18)26-22(19)21-12-9-16(2)31-21/h4-14H,1-3H3,(H,25,28).
What are the key properties of methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate?
methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate has a molecular weight of 415.45 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-methyl-4-[[3-(5-methylfuran-2-yl)-1-phenylpyrazole-4-carbonyl]amino]benzoate is sourced from PubChem (CID 55538260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).