dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate

C17H19N3O5 — CID 19474183

IUPACdimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(C)n1
InChIInChI=1S/C17H19N3O5/c1-5-20-9-14(10(2)19-20)15(21)18-13-7-11(16(22)24-3)6-12(8-13)17(23)25-4/h6-9H,5H2,1-4H3,(H,18,21)
InChIKeyAQKFVIFPAXPKJM-UHFFFAOYSA-N
MW345.36 g/mol
LogP2.04
Rot. Bonds5

About dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate

dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate (PubChem CID 19474183) has the molecular formula C17H19N3O5 and a molecular weight of 345.36 g/mol. Its IUPAC name is dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate.

Molecular Properties

Compound Namedimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
PubChem CID19474183
Molecular FormulaC17H19N3O5
Molecular Weight345.36 g/mol
Exact Mass345.13
IUPAC Namedimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate
SMILESCCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(C)n1
InChIInChI=1S/C17H19N3O5/c1-5-20-9-14(10(2)19-20)15(21)18-13-7-11(16(22)24-3)6-12(8-13)17(23)25-4/h6-9H,5H2,1-4H3,(H,18,21)
InChIKeyAQKFVIFPAXPKJM-UHFFFAOYSA-N
XLogP2.04
TPSA99.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

dimethyl 5-[(4-bromo-1-ethylpyrazole-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 19267253
N-(4-acetylphenyl)-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474225
methyl 1-ethyl-4-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]pyrazole-3-carboxylate
CID 19474420
1-ethyl-N-(3-methoxyphenyl)-3-methylpyrazole-4-carboxamide
CID 19474230
1-ethyl-3-methylpyrazole-4-carbohydrazide
CID 46318394
N-[1-(ethoxymethyl)pyrazol-4-yl]-1-ethyl-3-methylpyrazole-4-carboxamide
CID 19474460
3-[3-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]phenyl]benzoic acid
CID 167980507
1-ethyl-N-[4-[(2-ethylpyrazole-3-carbonyl)amino]phenyl]-3-methylpyrazole-4-carboxamide
CID 4774253
methyl 2-(1-ethyl-3-methylpyrazol-4-yl)-2-oxoacetate
CID 112616484
1-ethyl-3-methyl-N-[1-(2,2,2-trifluoroethoxymethyl)pyrazol-4-yl]pyrazole-4-carboxamide
CID 19474461
dimethyl 5-[[7-(4-bromo-1-ethylpyrazol-3-yl)pyrazolo[1,5-a]pyrimidine-2-carbonyl]amino]benzene-1,3-dicarboxylate
CID 19468354
dimethyl 5-[(1-ethyl-4-oxoquinoline-3-carbonyl)amino]benzene-1,3-dicarboxylate
CID 30131954

Frequently Asked Questions

What is the IUPAC name of dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The IUPAC name of dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate (CID 19474183) is dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate.
What is the SMILES notation for dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The canonical SMILES for dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate is CCn1cc(C(=O)Nc2cc(C(=O)OC)cc(C(=O)OC)c2)c(C)n1.
What is the InChIKey of dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate?
The InChIKey is AQKFVIFPAXPKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O5/c1-5-20-9-14(10(2)19-20)15(21)18-13-7-11(16(22)24-3)6-12(8-13)17(23)25-4/h6-9H,5H2,1-4H3,(H,18,21).
What are the key properties of dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate?
dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate has a molecular weight of 345.36 g/mol, XLogP of 2.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 5-[(1-ethyl-3-methylpyrazole-4-carbonyl)amino]benzene-1,3-dicarboxylate is sourced from PubChem (CID 19474183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).