methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate

C19H16ClN3O3 — CID 19402203

IUPACmethyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C19H16ClN3O3/c1-26-19(25)15-7-3-2-6-13(15)11-23-12-14(10-21-23)22-18(24)16-8-4-5-9-17(16)20/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyFZIRJYLDMYMURC-UHFFFAOYSA-N
MW369.81 g/mol
LogP3.62
Rot. Bonds5

About methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate

methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate (PubChem CID 19402203) has the molecular formula C19H16ClN3O3 and a molecular weight of 369.81 g/mol. Its IUPAC name is methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate.

Molecular Properties

Compound Namemethyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
PubChem CID19402203
Molecular FormulaC19H16ClN3O3
Molecular Weight369.81 g/mol
Exact Mass369.09
IUPAC Namemethyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate
SMILESCOC(=O)c1ccccc1Cn1cc(NC(=O)c2ccccc2Cl)cn1
InChIInChI=1S/C19H16ClN3O3/c1-26-19(25)15-7-3-2-6-13(15)11-23-12-14(10-21-23)22-18(24)16-8-4-5-9-17(16)20/h2-10,12H,11H2,1H3,(H,22,24)
InChIKeyFZIRJYLDMYMURC-UHFFFAOYSA-N
XLogP3.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.81
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[[4-[[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344672
methyl 2-[[4-[(5-chloro-2-methoxybenzoyl)amino]pyrazol-1-yl]methyl]benzoate
CID 19402411
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-2-methylbenzamide
CID 19397814
2-chloro-N-[1-[(2,6-dichlorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19395454
methyl 2-[[4-[(2,5-dichlorophenyl)carbamothioylamino]pyrazol-1-yl]methyl]benzoate
CID 19344649
methyl 2-[[4-[[3-[(2,3-dichlorophenoxy)methyl]benzoyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402386
methyl 2-[[4-[[2-(4-chlorophenoxy)acetyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19400604
methyl 2-[[4-[[5-[(2,3,4,5,6-pentachlorophenoxy)methyl]furan-2-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402390
2-chloro-N-[1-[(1-ethylpyrazol-4-yl)methyl]pyrazol-4-yl]benzamide
CID 19340031
N-[1-[(2-chlorophenyl)methyl]pyrazol-4-yl]-1,3-dimethylpyrazole-4-carboxamide
CID 19474860
2-chloro-N-[1-(ethoxymethyl)pyrazol-4-yl]benzamide
CID 19340469
methyl 2-[[4-[[1-[(4-bromo-2-chlorophenoxy)methyl]pyrazole-3-carbonyl]amino]pyrazol-1-yl]methyl]benzoate
CID 19402432

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate?
The IUPAC name of methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate (CID 19402203) is methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate.
What is the SMILES notation for methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate?
The canonical SMILES for methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate is COC(=O)c1ccccc1Cn1cc(NC(=O)c2ccccc2Cl)cn1.
What is the InChIKey of methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate?
The InChIKey is FZIRJYLDMYMURC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16ClN3O3/c1-26-19(25)15-7-3-2-6-13(15)11-23-12-14(10-21-23)22-18(24)16-8-4-5-9-17(16)20/h2-10,12H,11H2,1H3,(H,22,24).
What are the key properties of methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate?
methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate has a molecular weight of 369.81 g/mol, XLogP of 3.62, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[4-[(2-chlorobenzoyl)amino]pyrazol-1-yl]methyl]benzoate is sourced from PubChem (CID 19402203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).