ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate

C20H20N4O3 — CID 43072028

IUPACethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccc(C)n3)cc2)c1C
InChIInChI=1S/C20H20N4O3/c1-4-27-20(26)17-12-21-24(14(17)3)16-10-8-15(9-11-16)23-19(25)18-7-5-6-13(2)22-18/h5-12H,4H2,1-3H3,(H,23,25)
InChIKeyKNJKVDIOHCHLLD-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.31
Rot. Bonds5

About ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate

ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate (PubChem CID 43072028) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate
PubChem CID43072028
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Nameethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate
SMILESCCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccc(C)n3)cc2)c1C
InChIInChI=1S/C20H20N4O3/c1-4-27-20(26)17-12-21-24(14(17)3)16-10-8-15(9-11-16)23-19(25)18-7-5-6-13(2)22-18/h5-12H,4H2,1-3H3,(H,23,25)
InChIKeyKNJKVDIOHCHLLD-UHFFFAOYSA-N
XLogP3.31
TPSA86.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate
CID 43074523
ethyl 5-methyl-1-[4-[[4-(phenylcarbamoylamino)phenyl]carbamoyl]phenyl]pyrazole-4-carboxylate
CID 55683117
ethyl 1-[4-[(4-imidazol-1-ylphenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55651692
ethyl 1-[4-[[4-[(2,5-dioxopyrrolidin-1-yl)methyl]phenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 38044668
ethyl 1-(4-hydroxyphenyl)-5-methylpyrazole-4-carboxylate
CID 86692424
ethyl 1-[4-[[4-(cyclopentylcarbamoyl)phenyl]carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 55894730
ethyl 5-methyl-1-[3-(pyrazine-2-carbonylamino)phenyl]pyrazole-4-carboxylate
CID 43068470
ethyl 2-[(5-methyl-1-phenylpyrazole-4-carbonyl)amino]benzoate
CID 38074348
ethyl 1-[4-[(2-chlorophenyl)carbamoyl]phenyl]-5-methylpyrazole-4-carboxylate
CID 31910537
ethyl 5-methyl-1-[4-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]phenyl]pyrazole-4-carboxylate
CID 43072027
ethyl 5-amino-1-[4-[(4-ethoxycarbonylphenyl)carbamoyl]phenyl]pyrazole-4-carboxylate
CID 46363369
ethyl 1-[3-[(2-bromo-5-fluorobenzoyl)amino]phenyl]-5-methylpyrazole-4-carboxylate
CID 43068484

Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
The IUPAC name of ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate (CID 43072028) is ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate.
What is the SMILES notation for ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
The canonical SMILES for ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate is CCOC(=O)c1cnn(-c2ccc(NC(=O)c3cccc(C)n3)cc2)c1C.
What is the InChIKey of ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
The InChIKey is KNJKVDIOHCHLLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-4-27-20(26)17-12-21-24(14(17)3)16-10-8-15(9-11-16)23-19(25)18-7-5-6-13(2)22-18/h5-12H,4H2,1-3H3,(H,23,25).
What are the key properties of ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate?
ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate has a molecular weight of 364.41 g/mol, XLogP of 3.31, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-1-[4-[(6-methylpyridine-2-carbonyl)amino]phenyl]pyrazole-4-carboxylate is sourced from PubChem (CID 43072028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).