ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate

C25H25N5O3 — CID 46094164

IUPACethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2cccc(C)c2)n1
InChIInChI=1S/C25H25N5O3/c1-5-33-25(32)21-15-22(30(28-21)20-11-6-8-16(2)12-20)18-9-7-10-19(14-18)26-24(31)23-13-17(3)27-29(23)4/h6-15H,5H2,1-4H3,(H,26,31)
InChIKeyLUZFLYPCSMHDJC-UHFFFAOYSA-N
MW443.51 g/mol
LogP4.32
Rot. Bonds6

About ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate

ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate (PubChem CID 46094164) has the molecular formula C25H25N5O3 and a molecular weight of 443.51 g/mol. Its IUPAC name is ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
PubChem CID46094164
Molecular FormulaC25H25N5O3
Molecular Weight443.51 g/mol
Exact Mass443.20
IUPAC Nameethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2cccc(C)c2)n1
InChIInChI=1S/C25H25N5O3/c1-5-33-25(32)21-15-22(30(28-21)20-11-6-8-16(2)12-20)18-9-7-10-19(14-18)26-24(31)23-13-17(3)27-29(23)4/h6-15H,5H2,1-4H3,(H,26,31)
InChIKeyLUZFLYPCSMHDJC-UHFFFAOYSA-N
XLogP4.32
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.51
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate?
The IUPAC name of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate (CID 46094164) is ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate?
The canonical SMILES for ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate is CCOC(=O)c1cc(-c2cccc(NC(=O)c3cc(C)nn3C)c2)n(-c2cccc(C)c2)n1.
What is the InChIKey of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate?
The InChIKey is LUZFLYPCSMHDJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O3/c1-5-33-25(32)21-15-22(30(28-21)20-11-6-8-16(2)12-20)18-9-7-10-19(14-18)26-24(31)23-13-17(3)27-29(23)4/h6-15H,5H2,1-4H3,(H,26,31).
What are the key properties of ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate?
ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate has a molecular weight of 443.51 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[3-[(2,5-dimethylpyrazole-3-carbonyl)amino]phenyl]-1-(3-methylphenyl)pyrazole-3-carboxylate is sourced from PubChem (CID 46094164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).