methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate

C20H17ClN4O4 — CID 56548711

IUPACmethyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN4O4/c1-29-17(26)11-22-19(27)13-3-2-4-15(9-13)24-20(28)16-10-23-25-18(16)12-5-7-14(21)8-6-12/h2-10H,11H2,1H3,(H,22,27)(H,23,25)(H,24,28)
InChIKeyLUWWMOIYHYCWQG-UHFFFAOYSA-N
MW412.83 g/mol
LogP2.89
Rot. Bonds6

About methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate

methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate (PubChem CID 56548711) has the molecular formula C20H17ClN4O4 and a molecular weight of 412.83 g/mol. Its IUPAC name is methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate.

Molecular Properties

Compound Namemethyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
PubChem CID56548711
Molecular FormulaC20H17ClN4O4
Molecular Weight412.83 g/mol
Exact Mass412.09
IUPAC Namemethyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate
SMILESCOC(=O)CNC(=O)c1cccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1
InChIInChI=1S/C20H17ClN4O4/c1-29-17(26)11-22-19(27)13-3-2-4-15(9-13)24-20(28)16-10-23-25-18(16)12-5-7-14(21)8-6-12/h2-10H,11H2,1H3,(H,22,27)(H,23,25)(H,24,28)
InChIKeyLUWWMOIYHYCWQG-UHFFFAOYSA-N
XLogP2.89
TPSA113.18 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.83
LogP ≤ 52.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate with MolForge

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Related Compounds

5-(4-chlorophenyl)-N-(3,4,5-trimethoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17433645
N-(3-bromophenyl)-5-(4-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 78836023
5-(4-chlorophenyl)-N-[2-(2,6-dimethylanilino)-2-oxoethyl]-1H-pyrazole-4-carboxamide
CID 17429031
5-(4-fluorophenyl)-N-(3-methoxyphenyl)-1H-pyrazole-4-carboxamide
CID 17487935
5-(4-chlorophenyl)-N-(4-ethylphenyl)-1H-pyrazole-4-carboxamide
CID 20950773
methyl 2-[[3-[[3-(4-bromophenyl)-1H-pyrazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848355
methyl 6-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]hexanoate
CID 29493001
methyl 2-[(3-chlorobenzoyl)amino]acetate
CID 669189
methyl 2-[[3-[[2-[(4-chlorophenoxy)methyl]-1,3-thiazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55727980
methyl 2-[[3-[[1-(4-methylphenyl)-3-phenylpyrazole-4-carbonyl]amino]benzoyl]amino]acetate
CID 55962642
5-(4-chlorophenyl)-N-(2,2,2-trifluoroethyl)-1H-pyrazole-4-carboxamide
CID 18136016
methyl 2-[[3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]benzoyl]amino]acetate
CID 55848995

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate?
The IUPAC name of methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate (CID 56548711) is methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate.
What is the SMILES notation for methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate?
The canonical SMILES for methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate is COC(=O)CNC(=O)c1cccc(NC(=O)c2cn[nH]c2-c2ccc(Cl)cc2)c1.
What is the InChIKey of methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate?
The InChIKey is LUWWMOIYHYCWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN4O4/c1-29-17(26)11-22-19(27)13-3-2-4-15(9-13)24-20(28)16-10-23-25-18(16)12-5-7-14(21)8-6-12/h2-10H,11H2,1H3,(H,22,27)(H,23,25)(H,24,28).
What are the key properties of methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate?
methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate has a molecular weight of 412.83 g/mol, XLogP of 2.89, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[3-[[5-(4-chlorophenyl)-1H-pyrazole-4-carbonyl]amino]benzoyl]amino]acetate is sourced from PubChem (CID 56548711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).